data_2mwp_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 2mwp _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 122.077 0.942 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1540 ' ' LEU . . . . . 0.425 HD11 ' H ' ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.915 0.864 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1540 ' ' LEU . . . . . 0.401 ' H ' ' CD1' ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp . . . . . 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.543 0.697 0 CA-C-O 120.659 0.266 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 122.235 1.017 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 122.08 0.943 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.494 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1540 ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 122.146 0.974 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.521 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 122.293 1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 122.17 0.986 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.644 0.735 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1540 ' ' LEU . . . . . 0.409 HD13 ' H ' ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.871 0.843 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.591 0.71 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.1 mt . . . . . 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.716 0.769 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.556 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1540 ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.174 0.988 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 121.487 0.661 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1600 ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.713 0.768 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.334 0.588 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1501 ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.515 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 121.86 0.838 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1583 ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.44 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 122.298 1.047 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1596 ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1600 ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1530 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1533 ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 122.379 1.085 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1520 ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1583 ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.915 0.864 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1596 ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1600 ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.557 0.694 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 122.232 1.015 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 121.878 0.847 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.615 0.722 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -69.15 166.9 17.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.006 . . . . 0.0 112.868 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 80.0 mtp -62.73 163.11 9.74 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.839 1.256 . . . . 0.0 112.67 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -71.17 178.69 3.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.988 1.375 . . . . 0.0 114.409 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 p -66.48 61.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.844 3.258 . . . . 0.0 116.169 -171.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 69.9 -56.7 0.57 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.512 2.325 . . . . 0.0 112.644 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -60.59 121.34 11.94 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 87.2 p -61.55 -17.55 55.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -165.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 22.1 m -76.57 48.83 0.57 Allowed 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.546 1.521 . . . . 0.0 112.509 175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.7 t30 40.94 48.79 2.86 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.905 2.482 . . . . 0.0 114.536 -171.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.79 -148.03 23.55 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.191 0.9 . . . . 0.0 114.72 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -105.38 -176.34 3.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.794 2.038 . . . . 0.0 109.182 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1540 ' ' LEU . . . . . 0.425 HD11 ' H ' ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -125.06 135.86 53.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.89 102.05 4.61 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.033 0.933 . . . . 0.0 109.922 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 46.5 m 58.03 -37.13 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.578 3.151 . . . . 0.0 117.88 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -177.42 20.62 0.04 OUTLIER Glycine 0 CA--C 1.54 1.619 0 C-N-CA 127.361 2.41 . . . . 0.0 113.261 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -142.76 166.63 24.11 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.272 1.536 . . . . 0.0 111.851 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp -119.39 139.59 51.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.866 1.267 . . . . 0.0 111.881 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt -68.8 -36.41 78.21 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 C-N-CA 126.067 1.794 . . . . 0.0 113.456 -169.909 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.8 t -146.66 179.56 7.48 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.579 1.152 . . . . 0.0 112.415 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 49.7 m -136.06 14.58 3.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.024 1.73 . . . . 0.0 113.554 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -125.3 158.99 32.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 114.191 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.464 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 21.7 t60 -73.4 172.38 11.36 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.259 1.824 . . . . 0.0 114.659 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.464 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 22.5 ttmm -10.13 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 1 C-N-CA 132.093 4.157 . . . . 0.0 117.44 178.769 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.569 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.529 ' H ' ' CD1' ' B' ' 383' ' ' LEU 0.253 0.0 OUTLIER -74.91 11.44 1.09 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.771 1.628 . . . . 0.0 114.837 -174.027 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.16 50.8 1.09 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.916 1.286 . . . . 0.0 107.927 165.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.48 170.94 12.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 111.952 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -52.7 -37.61 59.31 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 110.317 169.733 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.345 -0.302 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.36 169.51 20.67 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.408 1.483 . . . . 0.0 111.825 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.56 166.04 7.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.123 1.369 . . . . 0.0 112.958 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -140.33 169.13 18.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.276 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 64.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 129.346 3.058 . . . . 0.0 115.787 -174.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 67.14 -53.13 0.47 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.201 2.2 . . . . 0.0 111.886 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.18 137.59 33.99 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 85.5 p -65.46 -177.78 0.45 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.419 1.488 . . . . 0.0 114.782 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.0 m 52.82 39.89 29.68 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.829 -1.169 . . . . 0.0 112.593 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.2 t30 49.97 54.88 10.3 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.309 2.244 . . . . 0.0 115.468 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.0 -153.82 14.51 Favored Glycine 0 CA--C 1.542 1.741 0 CA-C-O 121.9 0.722 . . . . 0.0 114.424 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -104.58 -176.46 3.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.535 1.934 . . . . 0.0 109.66 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1540 ' ' LEU . . . . . 0.401 ' H ' ' CD1' ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -127.14 111.72 14.32 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -141.75 141.34 33.23 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.92 1.288 . . . . 0.0 110.088 -170.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 69.4 m 50.4 26.38 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.62 27.37 71.19 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.439 1.019 . . . . 0.0 114.592 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -144.38 170.4 16.08 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.317 1.558 . . . . 0.0 111.596 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp -93.72 136.99 33.44 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt -67.2 -35.91 80.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 C-N-CA 125.484 1.516 . . . . 0.0 113.695 -169.654 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -53.25 -25.87 15.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -171.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 12.6 m -64.93 -9.47 21.56 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -129.3 158.04 40.18 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.895 1.678 . . . . 0.0 112.175 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.596 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 29.6 t-80 -78.88 -170.46 2.18 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.484 1.513 . . . . 0.0 112.779 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.596 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 67.0 mttm -52.85 -42.71 65.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.005 1.722 . . . . 0.0 114.072 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.993 1.317 . . . . 0.0 114.487 177.349 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.71 94.32 3.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.946 0.794 . . . . 0.0 110.349 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.6 tpt -171.32 142.24 1.68 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.465 1.906 . . . . 0.0 110.085 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -163.42 158.41 21.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 111.448 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -68.61 156.96 37.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.066 0.546 . . . . 0.0 112.242 170.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.257 1.474 0 C-N-CA 124.981 1.313 . . . . 0.0 113.08 169.257 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.57 164.56 34.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.284 1.434 . . . . 0.0 111.714 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 88.4 mtp -143.34 167.68 21.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.813 1.645 . . . . 0.0 112.572 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 66.2 t30 -144.76 167.05 23.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.868 1.667 . . . . 0.0 109.872 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.9 p -46.24 -60.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.878 1.671 . . . . 0.0 114.986 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -156.76 -54.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.045 2.138 . . . . 0.0 107.279 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -71.78 91.86 1.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 46.7 p -55.54 -26.49 43.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.917 2.087 . . . . 0.0 115.852 -167.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 62.7 m -61.86 -49.58 75.68 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -166.46 15.59 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -171.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -141.71 -142.88 4.15 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 119.673 2.629 . . . . 0.0 119.673 -166.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -105.28 -168.85 1.52 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.715 2.406 . . . . 0.0 111.388 -166.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -125.58 135.38 52.16 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -140.59 100.65 3.91 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.766 0.827 . . . . 0.0 110.512 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 28.35 0.39 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 112.52 15.01 9.88 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -138.06 159.86 40.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.088 1.944 . . . . 0.0 110.862 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp -118.24 138.77 52.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.612 1.165 . . . . 0.0 112.162 -168.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.82 -36.35 78.1 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 126.158 1.837 . . . . 0.0 114.664 -168.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 11.7 p -142.76 165.0 28.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.67 1.588 . . . . 0.0 111.952 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 68.3 m -52.67 138.0 29.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.088 1.355 . . . . 0.0 111.562 168.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.01 156.38 29.23 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 170.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.07 167.4 3.0 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.676 1.99 . . . . 0.0 113.08 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -61.34 -23.92 66.09 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 174.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -58.78 124.76 20.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.926 1.239 . . . . 0.0 112.291 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 37.4 tpp -159.68 165.97 31.54 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.728 2.011 . . . . 0.0 109.736 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -130.25 146.13 51.82 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -167.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -139.54 19.7 2.54 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.689 2.396 . . . . 0.0 110.424 168.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 130.183 3.393 . . . . 0.0 113.305 -169.189 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.55 -39.73 77.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.22 1.008 . . . . 0.0 113.323 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.9 mmm -74.07 155.39 38.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.058 0.943 . . . . 0.0 112.518 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.7 t30 -150.49 130.04 13.05 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.29 1.436 . . . . 0.0 110.154 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 77.8 p 12.73 -83.77 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.256 3.022 . . . . 0.0 115.903 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.78 -43.95 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.765 2.826 . . . . 0.0 108.376 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -66.78 128.08 34.93 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.1 p -65.01 -14.3 60.04 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -165.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.2 m -75.24 47.94 0.39 Allowed 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.302 1.865 . . . . 0.0 112.625 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.7 t30 40.43 47.04 2.17 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.874 2.47 . . . . 0.0 113.526 -169.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.59 -150.23 25.71 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.023 0.82 . . . . 0.0 114.562 -170.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -105.43 -176.14 2.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.858 1.663 . . . . 0.0 109.924 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.523 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -126.91 132.89 50.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.03 100.76 4.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.955 0.902 . . . . 0.0 110.754 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.9 m 45.39 34.57 1.58 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.93 16.77 14.37 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.45 1.024 . . . . 0.0 115.549 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.86 156.44 48.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.832 1.653 . . . . 0.0 109.503 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.7 145.32 36.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.793 1.637 . . . . 0.0 110.814 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.05 -49.43 67.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 CA-C-N 112.479 -2.146 . . . . 0.0 114.869 -168.663 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 m -59.47 138.86 57.54 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.297 1.039 . . . . 0.0 112.03 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 14.5 m -72.85 -0.42 13.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -140.3 162.04 36.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.526 1.93 . . . . 0.0 112.641 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 173.18 3.3 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.065 0.946 . . . . 0.0 112.352 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 123.86 6.54 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.882 2.073 . . . . 0.0 113.287 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . 0.284 . . . . . . . 0 N--CA 1.485 1.297 1 C-N-CA 132.26 4.224 . . . . 0.0 119.851 -176.099 . . . . . . . . 2 1 . 1 . 004 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 9.6 tt -65.67 134.13 52.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.654 1.181 . . . . 0.0 113.817 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 15.8 tpp 179.93 120.42 0.06 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.155 2.182 . . . . 0.0 111.512 168.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.66 174.9 10.59 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.94 2.096 . . . . 0.0 114.509 -170.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -74.35 -6.51 48.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.116 1.367 . . . . 0.0 113.802 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.245 2.218 . . . . 0.0 114.294 -178.063 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -141.77 163.53 32.65 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.297 1.439 . . . . 0.0 111.966 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.61 156.69 25.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.091 0.956 . . . . 0.0 113.113 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.6 p30 -145.32 -176.23 5.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.093 1.757 . . . . 0.0 111.908 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 3.0 p -69.9 56.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 128.288 2.635 . . . . 0.0 115.052 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 70.32 -48.45 0.64 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.111 2.164 . . . . 0.0 112.862 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -71.51 134.18 46.33 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.0 p -71.46 -9.85 58.84 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 119.032 2.975 . . . . 0.0 119.032 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -73.1 42.33 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 121.652 2.024 . . . . 0.0 112.819 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.4 t30 42.23 47.0 4.0 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.166 2.186 . . . . 0.0 112.186 -167.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -93.65 -151.99 28.72 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.242 0.925 . . . . 0.0 114.014 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.414 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 -105.05 -173.53 2.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.3 1.84 . . . . 0.0 108.996 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.494 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1540 ' ' LEU . . . . . 0.401 HD13 ' H ' ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -122.99 141.0 52.44 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -141.07 100.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.758 0.823 . . . . 0.0 110.349 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.9 m 58.39 -42.78 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.843 2.857 . . . . 0.0 117.782 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -172.71 18.04 0.05 OUTLIER Glycine 0 CA--C 1.539 1.589 0 C-N-CA 127.172 2.32 . . . . 0.0 113.367 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.52 166.71 23.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.684 1.242 . . . . 0.0 110.546 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp -122.02 145.98 47.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.632 1.173 . . . . 0.0 112.932 -165.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.414 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.0 mt -66.41 -34.36 77.79 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.233 0 CA-C-O 116.91 -2.05 . . . . 0.0 114.708 -169.502 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 10.5 t -149.98 176.28 10.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.328 1.451 . . . . 0.0 111.653 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 10.7 t -153.44 135.67 14.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.282 1.433 . . . . 0.0 111.103 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -153.81 149.93 27.92 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.09 176.98 6.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.956 1.302 . . . . 0.0 114.007 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.32 -30.67 40.35 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.935 2.094 . . . . 0.0 115.09 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 127.462 2.305 . . . . 0.0 108.631 171.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . 0.326 0.1 OUTLIER 116.22 12.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 1 C-N-CA 131.906 4.082 . . . . 0.0 112.677 178.342 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 89.24 2.34 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.461 -2.024 . . . . 0.0 109.146 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -124.96 166.62 16.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.852 2.061 . . . . 0.0 111.426 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -138.65 159.97 40.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.833 1.653 . . . . 0.0 111.459 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.36 1.864 . . . . 0.0 112.311 178.535 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -149.47 167.24 26.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.351 1.46 . . . . 0.0 111.854 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.18 164.22 9.01 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.373 . . . . 0.0 113.419 173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.6 t30 -135.83 170.41 16.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.062 1.745 . . . . 0.0 111.879 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 60.8 p -55.57 171.12 0.21 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.869 166.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -25.9 -51.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 127.748 2.419 . . . . 0.0 114.541 168.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -87.23 107.43 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.7 p -60.82 -32.14 71.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 42.5 m -82.86 5.64 21.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -145.2 -41.72 0.23 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 135.61 -15.45 4.12 Favored Glycine 0 N--CA 1.477 1.428 0 N-CA-C 118.47 2.148 . . . . 0.0 118.47 170.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -105.23 170.7 7.73 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 120.77 2.285 . . . . 0.0 111.708 -170.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.521 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.38 139.58 53.55 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -135.58 104.17 5.71 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.079 0.552 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.5 m 47.85 35.22 4.57 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.5 11.35 29.23 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.438 1.018 . . . . 0.0 115.148 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -131.0 156.58 44.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.011 1.724 . . . . 0.0 109.023 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -115.04 146.41 41.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.585 1.554 . . . . 0.0 111.277 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt -72.37 -35.92 68.6 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 126.505 2.002 . . . . 0.0 114.744 -169.021 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.978 0.418 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.0 t -152.13 156.98 40.91 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.01 1.324 . . . . 0.0 111.546 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.8 m -73.18 123.76 24.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 109.674 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -150.18 155.42 39.73 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.01 0.823 . . . . 0.0 112.745 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.81 163.59 11.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.956 1.702 . . . . 0.0 113.5 -173.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.17 -20.55 59.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 113.409 173.691 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -57.68 107.9 0.5 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.34 1.056 . . . . 0.0 112.293 -173.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 14.1 tpt -171.36 152.3 3.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.428 1.891 . . . . 0.0 111.502 167.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -162.93 159.8 24.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.269 1.828 . . . . 0.0 111.462 -171.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -63.52 153.88 34.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.406 0.682 . . . . 0.0 112.424 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.033 1.733 . . . . 0.0 110.78 -177.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.921 -0.071 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -136.69 12.52 3.18 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.851 1.26 . . . . 0.0 113.572 -175.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.2 mmt -138.24 164.85 28.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.041 1.337 . . . . 0.0 113.308 -169.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.67 166.99 23.62 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.621 1.968 . . . . 0.0 111.375 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.4 p -53.63 154.44 3.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.804 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -13.06 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 128.627 2.771 . . . . 0.0 115.799 169.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -72.94 138.04 45.9 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 60.0 p -68.65 -173.5 0.46 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.639 1.175 . . . . 0.0 114.133 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.4 m 53.02 39.79 30.08 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.672 -1.268 . . . . 0.0 112.351 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.1 t30 49.76 53.88 11.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.415 2.286 . . . . 0.0 115.113 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.42 -157.57 24.56 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 122.007 0.782 . . . . 0.0 114.221 173.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -105.13 -173.03 2.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.648 1.979 . . . . 0.0 109.567 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1502 ' ' TYR . . . . . 0.436 ' HH ' ' CE1' ' B' ' 380' ' ' HIS . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -122.18 138.31 54.52 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -139.96 101.07 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.847 0.859 . . . . 0.0 109.85 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 70.6 m 58.19 -42.3 0.06 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.865 2.866 . . . . 0.0 117.334 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.68 24.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.434 0 C-N-CA 127.519 2.485 . . . . 0.0 112.976 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -142.8 166.8 23.65 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.94 1.37 . . . . 0.0 111.347 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp -118.47 141.27 48.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.623 1.169 . . . . 0.0 113.606 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt -66.0 -33.25 75.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.876 1.703 . . . . 0.0 114.631 -169.469 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 -22.22 3.16 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -168.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.6 m -132.55 35.95 3.59 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 152.15 49.43 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.189 -0.945 . . . . 0.0 111.403 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.436 ' CE1' ' HH ' ' A' 1502 ' ' TYR . 55.8 t-80 -61.24 159.73 11.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.467 1.107 . . . . 0.0 112.845 -178.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.53 -22.0 61.03 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 171.262 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 8.5 tt -83.11 137.65 34.0 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.29 130.92 0.37 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.55 1.94 . . . . 0.0 111.164 164.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -82.58 -176.32 6.19 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.043 1.737 . . . . 0.0 113.491 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -108.9 28.56 8.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.747 1.619 . . . . 0.0 111.984 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.218 2.207 . . . . 0.0 113.451 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -149.07 169.22 21.14 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.455 1.502 . . . . 0.0 111.779 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.4 mtp -62.74 166.25 5.69 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.17 1.388 . . . . 0.0 112.862 173.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.8 168.31 19.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.413 1.485 . . . . 0.0 111.423 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.57 63.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 128.875 2.87 . . . . 0.0 115.622 -173.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 67.82 -51.42 0.52 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.162 2.185 . . . . 0.0 112.159 -171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -63.24 122.0 15.09 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.3 p -61.79 -15.92 45.42 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 28.7 m -76.12 46.17 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.611 1.55 . . . . 0.0 112.678 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.9 t30 43.15 46.91 5.22 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.979 2.512 . . . . 0.0 114.571 -172.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.33 -146.56 21.07 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.205 0.892 . . . . 0.0 114.87 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -104.98 -171.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.973 2.109 . . . . 0.0 109.158 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1540 ' ' LEU . . . . . 0.409 HD13 ' H ' ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -124.53 138.69 54.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.77 100.57 3.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.74 0.816 . . . . 0.0 110.448 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 60.6 m 57.68 -43.92 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 129.142 2.977 . . . . 0.0 117.743 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.4 20.57 0.07 OUTLIER Glycine 0 CA--C 1.538 1.495 0 C-N-CA 127.48 2.467 . . . . 0.0 113.381 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.22 164.72 29.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.852 1.326 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -119.67 140.48 50.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.939 1.296 . . . . 0.0 111.381 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.5 -41.21 93.48 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 129.445 3.402 . . . . 0.0 117.161 -169.318 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m -58.5 137.11 57.59 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.056 1.343 . . . . 0.0 112.225 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 16.3 m -69.45 -14.85 63.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -122.27 158.95 28.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.753 1.221 . . . . 0.0 113.708 -169.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -51.57 159.23 0.78 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.498 3.119 . . . . 0.0 114.622 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.8 58.97 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 173.747 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.92 133.98 52.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.809 1.186 . . . . 0.0 112.998 -171.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 5.3 tpt -162.06 164.81 27.94 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.431 1.892 . . . . 0.0 110.494 166.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -135.01 163.4 29.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.738 1.615 . . . . 0.0 113.369 -169.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -134.92 23.95 3.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.456 1.902 . . . . 0.0 112.362 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.632 2.373 . . . . 0.0 113.58 -177.838 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -150.04 157.26 42.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.263 1.425 . . . . 0.0 111.918 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 94.6 mtp -143.15 145.02 32.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.801 1.641 . . . . 0.0 110.846 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.32 164.46 25.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.023 0.916 . . . . 0.0 113.096 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.4 p -67.58 60.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 129.002 2.921 . . . . 0.0 115.876 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 68.57 -51.89 0.56 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.351 2.261 . . . . 0.0 112.325 -174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -85.01 97.93 10.11 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 49.2 p -60.5 -27.75 67.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.196 1.398 . . . . 0.0 114.345 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 59.3 m -74.13 0.03 15.2 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -142.48 -51.07 0.38 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.02 -23.51 1.27 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 118.946 2.339 . . . . 0.0 118.946 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -105.71 172.36 6.84 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 120.542 2.171 . . . . 0.0 111.514 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.496 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -123.81 138.1 54.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -140.02 101.02 4.07 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.932 0.893 . . . . 0.0 109.773 -169.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.5 m 58.15 -40.33 0.05 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 129.121 2.968 . . . . 0.0 117.334 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -178.39 21.25 0.04 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 127.324 2.393 . . . . 0.0 113.536 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -141.92 164.4 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.372 1.586 . . . . 0.0 111.489 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -115.71 142.95 46.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.435 1.094 . . . . 0.0 113.821 -165.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.1 mt -70.71 -40.08 73.06 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 C-N-CA 126.657 2.075 . . . . 0.0 112.342 -169.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 90.0 m -53.21 -42.2 66.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.07 1.748 . . . . 0.0 115.068 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 23.0 m -77.92 66.62 3.61 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -143.73 150.51 38.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.212 1.005 . . . . 0.0 112.156 169.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.433 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 55.7 t60 -64.24 171.23 3.16 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.517 1.127 . . . . 0.0 113.241 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.433 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 62.1 mttm -52.95 -31.02 38.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.188 1.795 . . . . 0.0 115.568 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.203 1.401 . . . . 0.0 113.581 174.788 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.79 137.86 58.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.55 1.14 . . . . 0.0 113.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.9 tpt -167.67 153.5 7.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.299 2.24 . . . . 0.0 109.247 166.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -108.69 110.56 22.01 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -133.95 23.25 3.88 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.641 2.376 . . . . 0.0 110.145 168.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 129.896 3.278 . . . . 0.0 113.106 -170.067 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 112.641 -0.183 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -127.87 6.32 6.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.783 1.233 . . . . 0.0 114.256 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -152.9 160.4 43.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.248 1.419 . . . . 0.0 112.648 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.9 t30 -81.07 167.17 20.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.898 0.856 . . . . 0.0 112.852 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.2 p -67.5 61.45 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 129.104 2.962 . . . . 0.0 115.672 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.32 -52.13 0.55 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.958 2.103 . . . . 0.0 112.191 -173.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -78.15 100.22 6.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.2 p -57.7 -29.3 64.58 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 60.9 m -78.33 -6.82 56.23 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.4 -13.03 0.4 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 124.65 -25.95 5.8 Favored Glycine 0 N--CA 1.481 1.658 0 N-CA-C 120.259 2.864 . . . . 0.0 120.259 165.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.94 172.5 6.79 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.673 2.236 . . . . 0.0 111.796 -170.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.556 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1540 ' ' LEU . . . . . 0.422 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -127.85 132.99 49.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -136.0 99.83 4.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.908 0.385 . . . . 0.0 110.998 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.2 m 45.57 33.23 1.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 107.83 17.5 11.01 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.807 1.194 . . . . 0.0 115.374 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.54 152.19 50.96 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.996 1.718 . . . . 0.0 109.997 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp -123.22 129.76 51.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.714 1.205 . . . . 0.0 112.027 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.33 -53.27 11.2 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-N 111.752 -2.476 . . . . 0.0 114.496 -168.107 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 t -148.99 165.65 30.99 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.286 1.434 . . . . 0.0 111.329 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.3 m -77.19 7.59 4.94 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -137.96 167.94 20.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.868 2.067 . . . . 0.0 113.329 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.81 156.17 14.69 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.348 1.059 . . . . 0.0 112.239 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -65.9 29.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.526 2.788 . . . . 0.0 118.526 -167.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.13 174.15 6.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 118.589 2.811 . . . . 0.0 118.589 -162.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 5.7 tpt -175.19 92.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.417 3.087 . . . . 0.0 109.011 168.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.21 164.37 18.35 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -140.76 39.24 1.83 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 110.858 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.143 1.777 . . . . 0.0 113.403 -176.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.991 0 N-CA-C 112.841 -0.104 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.52 5.48 6.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.709 1.204 . . . . 0.0 114.117 -172.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 28.1 ptm -152.25 178.7 9.23 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.222 1.409 . . . . 0.0 112.333 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.0 t30 -137.15 170.44 16.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.415 1.486 . . . . 0.0 111.365 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.09 65.26 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 128.804 2.842 . . . . 0.0 114.747 -176.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 67.08 -57.15 0.43 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.461 2.305 . . . . 0.0 112.05 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -84.77 109.92 18.42 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -59.47 -37.99 79.63 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.6 m -73.94 -15.48 61.12 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 16.6 m120 -134.31 -14.68 2.27 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 108.84 -13.61 34.82 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -107.11 171.74 7.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.868 2.334 . . . . 0.0 112.242 -173.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1502 ' ' TYR . . . . . 0.404 ' HH ' ' CE1' ' B' ' 380' ' ' HIS . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.518 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -129.43 119.36 23.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.81 132.38 27.07 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.871 0.468 . . . . 0.0 111.149 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.9 m 47.6 33.66 3.11 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.75 32.41 50.32 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.173 0.892 . . . . 0.0 114.513 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -141.2 151.6 43.92 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.492 1.517 . . . . 0.0 109.217 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.46 144.82 24.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' LEU . . . . . 0.42 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1600 ' ' TYR . . . . . 0.42 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.3 mt -71.42 -35.79 71.08 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 126.82 2.153 . . . . 0.0 114.611 -169.16 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 41.7 p -93.81 -30.19 14.96 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 73.2 p -147.88 22.42 1.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -164.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.42 151.28 49.56 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 119.772 1.169 . . . . 0.0 112.283 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 9.1 t-80 -70.35 179.01 2.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 -167.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.44 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 59.5 mttm -58.66 -37.49 76.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.245 2.218 . . . . 0.0 113.035 176.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 126.116 1.767 . . . . 0.0 112.36 179.368 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -52.08 120.06 5.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.86 0.864 . . . . 0.0 111.536 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.7 tpt -165.36 164.35 19.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.854 2.062 . . . . 0.0 109.98 168.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.39 157.02 44.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.307 1.443 . . . . 0.0 113.976 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -134.86 26.91 3.62 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.202 1.801 . . . . 0.0 112.206 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.633 1.973 . . . . 0.0 111.889 -173.623 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -150.24 159.37 44.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.517 1.527 . . . . 0.0 111.572 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 78.9 mtm -138.45 -54.57 0.62 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 113.155 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -155.09 166.33 33.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.191 0.997 . . . . 0.0 112.044 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 59.78 0.13 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.694 2.798 . . . . 0.0 115.726 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.05 -52.16 0.53 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.134 2.174 . . . . 0.0 112.457 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -77.42 115.32 17.09 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.1 p -60.5 -37.62 81.69 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -168.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 47.1 m -77.88 -11.59 59.91 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -138.59 -21.86 1.0 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 117.41 -14.81 13.23 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 119.272 2.469 . . . . 0.0 119.272 167.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -106.21 175.49 5.48 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 121.601 2.7 . . . . 0.0 111.795 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -124.36 136.53 54.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.58 100.92 3.98 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.928 0.891 . . . . 0.0 110.582 -169.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.3 m 46.54 29.18 0.87 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.73 14.54 15.35 Favored Glycine 0 CA--C 1.539 1.54 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.55 163.44 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.973 1.887 . . . . 0.0 111.32 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp -115.76 142.92 46.12 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 -166.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.7 mt -68.75 -38.97 80.49 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 126.542 2.02 . . . . 0.0 115.737 -168.818 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.5 t -70.62 -16.18 62.81 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 20.0 m -66.0 71.75 0.06 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.159 2.184 . . . . 0.0 115.011 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -131.04 161.18 32.57 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.362 1.865 . . . . 0.0 112.584 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.58 172.13 4.45 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.423 2.289 . . . . 0.0 113.255 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -57.95 -23.83 55.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 C-N-CA 126.451 1.9 . . . . 0.0 110.706 -179.204 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -59.73 102.35 0.15 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.585 0.754 . . . . 0.0 112.911 -170.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.1 tpt -175.96 145.78 0.67 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.908 2.883 . . . . 0.0 108.67 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.86 170.09 21.35 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.75 1.22 . . . . 0.0 112.866 -168.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -116.98 35.04 4.8 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.044 1.737 . . . . 0.0 112.2 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.815 2.046 . . . . 0.0 114.048 178.192 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -66.57 -31.82 72.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.385 1.074 . . . . 0.0 113.878 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 98.3 mtp -141.98 168.22 20.28 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.105 1.762 . . . . 0.0 111.489 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -145.64 120.1 9.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.387 1.475 . . . . 0.0 110.076 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 78.6 p 23.53 -87.65 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.855 2.862 . . . . 0.0 115.457 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -138.05 -43.4 0.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 128.414 2.686 . . . . 0.0 108.471 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -83.9 105.34 14.71 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 59.1 p -60.91 -33.54 73.29 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -169.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 48.8 m -72.23 -15.4 61.93 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -174.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -136.44 -15.97 1.62 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.75 19.76 Favored Glycine 0 N--CA 1.48 1.572 0 N-CA-C 119.404 2.522 . . . . 0.0 119.404 166.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -107.98 176.98 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.141 2.47 . . . . 0.0 112.342 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1501 ' ' PHE . . . . . 0.44 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ASP . . . . . 0.406 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.515 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -123.5 137.74 54.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.92 100.45 3.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.048 0.939 . . . . 0.0 110.438 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 56.5 m 57.14 -43.85 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.133 2.973 . . . . 0.0 117.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.67 19.84 0.07 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.322 2.391 . . . . 0.0 113.276 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -138.6 161.21 37.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.856 1.263 . . . . 0.0 110.837 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp -123.15 140.98 52.46 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.94 1.296 . . . . 0.0 111.559 -167.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1583 ' ' ARG . . . . . 0.406 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1584 ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' B' ' 385' ' ' PHE . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.44 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.11 -36.63 80.06 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 127.601 2.524 . . . . 0.0 114.466 -169.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . 0.269 1.9 t 49.93 -176.95 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 128.458 2.703 . . . . 0.0 115.786 -173.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 72.8 m -141.1 136.66 32.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.912 2.485 . . . . 0.0 108.506 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -153.65 152.36 30.74 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.489 1.041 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.487 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 30.3 t-80 -66.52 179.16 1.07 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.913 1.285 . . . . 0.0 112.866 176.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.487 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 66.3 mttm -54.44 -36.64 64.28 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.554 1.942 . . . . 0.0 114.743 -172.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -69.1 135.06 50.18 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -170.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 8.1 tpt -159.01 83.19 0.79 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.22 1.408 . . . . 0.0 111.445 166.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . 0.402 ' CE1' ' CE ' ' A' 1584 ' ' MET . 24.6 m-85 -55.4 125.32 20.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.956 0.902 . . . . 0.0 113.089 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.98 31.11 2.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.143 2.177 . . . . 0.0 111.358 175.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.254 1.33 0 C-N-CA 126.796 2.038 . . . . 0.0 112.047 -172.696 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -148.68 160.06 43.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.379 1.471 . . . . 0.0 111.909 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 83.0 mmm -143.43 145.91 33.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.834 1.654 . . . . 0.0 111.552 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -68.06 164.14 20.83 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.268 1.032 . . . . 0.0 112.473 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 81.2 p -55.63 156.62 4.64 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.632 165.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -9.54 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 128.798 2.839 . . . . 0.0 115.796 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -89.81 110.74 21.64 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -62.83 -29.93 71.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.95 1.3 . . . . 0.0 114.493 -169.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 50.0 m -80.64 1.76 28.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -145.52 -36.84 0.28 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 128.83 -14.15 6.04 Favored Glycine 0 N--CA 1.477 1.415 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 169.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -105.06 171.62 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.444 2.122 . . . . 0.0 110.745 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -124.06 138.11 54.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -140.3 100.73 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.986 0.915 . . . . 0.0 110.16 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 66.8 m 58.23 -42.11 0.06 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.147 2.979 . . . . 0.0 117.32 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.21 21.85 0.05 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.412 2.434 . . . . 0.0 113.393 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -141.59 165.44 27.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.223 1.512 . . . . 0.0 111.375 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp -118.06 143.7 46.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.586 1.154 . . . . 0.0 113.589 -166.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1596 ' ' LEU . . . . . 0.412 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1600 ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.74 -35.96 77.79 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.302 0 C-N-CA 126.607 2.051 . . . . 0.0 114.78 -169.303 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 14.7 t -67.67 -36.77 81.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 21.2 m 52.9 22.7 2.49 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -124.54 152.32 43.6 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.737 1.215 . . . . 0.0 113.112 -168.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.73 162.11 5.58 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 114.715 -169.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -36.34 -46.24 0.52 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 129.183 2.993 . . . . 0.0 117.053 -169.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 125.34 1.456 . . . . 0.0 113.183 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 113.09 7.79 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 26.6 tpp -165.03 156.07 14.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.273 2.629 . . . . 0.0 106.577 163.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -115.64 159.76 20.91 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -164.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -130.56 18.96 5.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.914 2.486 . . . . 0.0 111.047 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.153 2.581 . . . . 0.0 113.882 177.363 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -141.3 162.33 35.74 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.276 1.43 . . . . 0.0 112.095 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.3 mtm -140.55 169.29 17.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.63 1.572 . . . . 0.0 111.703 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.3 t30 -142.61 89.83 2.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.517 1.527 . . . . 0.0 109.766 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 88.7 p 41.96 -84.23 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.148 2.579 . . . . 0.0 115.716 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -141.15 -52.92 0.46 Allowed 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.247 2.619 . . . . 0.0 107.856 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -77.41 117.09 18.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 63.4 p -65.5 -33.84 76.88 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.1 m -77.02 -4.3 43.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -146.54 -32.37 0.33 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 95.51 53.72 1.53 Allowed Glycine 0 CA--C 1.532 1.137 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 169.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.85 175.85 9.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.375 2.27 . . . . 0.0 107.605 169.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1530 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1533 ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -123.76 135.38 53.79 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.05 106.83 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.136 0.974 . . . . 0.0 109.781 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.5 m 57.99 -37.14 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 129.406 3.082 . . . . 0.0 118.12 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 178.44 21.41 0.03 OUTLIER Glycine 0 CA--C 1.536 1.387 0 C-N-CA 127.2 2.333 . . . . 0.0 113.329 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -143.39 160.97 39.58 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.27 1.535 . . . . 0.0 111.643 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp -117.11 140.22 49.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.979 1.312 . . . . 0.0 112.392 -167.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' ARG . . . . . 0.424 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.8 mt -65.93 -39.78 90.8 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 C-N-CA 126.436 1.969 . . . . 0.0 112.73 -169.53 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 49.1 m -135.15 138.93 44.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.067 1.347 . . . . 0.0 110.531 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 20.9 2.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -169.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.1 141.27 49.95 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.828 1.251 . . . . 0.0 111.745 -168.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -54.44 154.06 5.02 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.207 2.203 . . . . 0.0 115.136 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -53.8 -23.51 12.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.805 2.842 . . . . 0.0 117.775 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 125.023 1.329 . . . . 0.0 112.762 -178.32 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.94 131.19 31.04 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.661 1.584 . . . . 0.0 111.794 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.04 155.44 29.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -117.42 54.39 0.89 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.78 1.632 . . . . 0.0 112.933 -169.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -66.65 -16.28 64.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.502 1.121 . . . . 0.0 112.088 167.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.857 3.263 . . . . 0.0 114.848 172.235 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.012 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.41 -33.16 75.08 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.314 1.045 . . . . 0.0 113.769 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.8 ttt -150.43 168.2 24.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.501 1.52 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 65.7 t30 -139.2 165.01 28.3 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.312 1.445 . . . . 0.0 109.818 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 56.9 p -46.33 -60.07 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.864 1.666 . . . . 0.0 115.307 -169.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -155.86 -54.84 0.09 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.974 2.11 . . . . 0.0 106.917 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -60.35 120.18 9.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -19.6 63.74 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -166.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 69.3 m -79.44 52.23 1.35 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.967 1.258 . . . . 0.0 112.011 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.7 t30 40.44 52.11 2.92 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.411 2.684 . . . . 0.0 115.472 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.34 -148.28 23.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.097 0.856 . . . . 0.0 114.3 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -105.14 -172.9 2.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.579 1.952 . . . . 0.0 109.238 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.54 136.93 54.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -140.43 100.56 3.91 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.518 0.727 . . . . 0.0 111.18 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.7 m 46.6 27.45 0.64 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.886 1.809 . . . . 0.0 115.886 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.65 17.97 9.97 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-O 118.33 -1.261 . . . . 0.0 116.163 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -139.26 167.86 21.12 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.517 2.159 . . . . 0.0 111.765 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp -115.38 138.88 50.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 -167.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1583 ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt -69.12 -37.81 78.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.337 0 C-N-CA 125.633 1.587 . . . . 0.0 113.562 -169.673 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.8 m -140.96 145.21 35.71 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.961 1.304 . . . . 0.0 111.062 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 51.1 m 45.99 51.26 10.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.196 1.799 . . . . 0.0 115.19 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -141.7 155.05 45.68 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -70.46 167.59 17.97 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.137 1.775 . . . . 0.0 113.528 -173.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -24.51 67.53 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 124.265 1.026 . . . . 0.0 113.489 174.362 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.55 118.52 6.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.418 1.008 . . . . 0.0 111.347 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.8 tpt -165.28 160.33 18.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.793 1.637 . . . . 0.0 111.203 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.44 39.72 3.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.073 1.749 . . . . 0.0 113.262 -168.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -76.68 56.9 1.19 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.013 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.255 1.373 0 C-N-CA 127.155 2.182 . . . . 0.0 112.132 -170.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.033 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -128.79 12.17 6.24 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.861 1.264 . . . . 0.0 113.504 -173.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -136.24 165.87 24.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -144.88 90.93 2.1 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.754 1.622 . . . . 0.0 109.551 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 89.4 p 40.79 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 128.138 2.575 . . . . 0.0 115.466 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.36 -52.54 0.54 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.01 2.524 . . . . 0.0 107.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -76.82 125.65 29.64 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 97.8 p -60.38 -21.19 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -166.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.0 m -76.4 45.55 0.39 Allowed 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.82 1.645 . . . . 0.0 112.694 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 43.39 48.3 5.96 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.969 2.508 . . . . 0.0 114.922 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.36 -145.62 19.2 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 123.845 0.735 . . . . 0.0 114.731 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -104.66 -173.58 2.34 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.692 1.997 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -115.41 143.19 45.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -140.14 163.98 31.28 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 108.12 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.0 m -47.62 94.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.844 1.257 . . . . 0.0 114.112 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.56 28.8 71.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.097 1.332 . . . . 0.0 115.306 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -145.1 150.21 36.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.538 1.669 . . . . 0.0 110.784 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp -130.8 129.56 42.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.053 1.341 . . . . 0.0 110.239 -175.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1596 ' ' LEU . . . . . 0.425 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1600 ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.3 mt -72.32 -40.35 67.51 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.336 0 CA-C-O 116.45 -2.306 . . . . 0.0 116.002 -168.897 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.995 0.426 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -153.52 -178.19 6.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 111.394 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 8.7 t -137.03 144.89 43.48 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.348 1.859 . . . . 0.0 109.19 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.76 37.39 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.137 0.88 . . . . 0.0 113.224 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -65.2 174.81 1.87 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.681 1.992 . . . . 0.0 114.376 -172.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -49.1 -43.29 41.15 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.29 1.836 . . . . 0.0 112.575 172.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 169.399 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.02 119.99 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.461 1.028 . . . . 0.0 112.437 -171.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -157.81 135.17 10.3 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.899 1.679 . . . . 0.0 109.124 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -79.68 73.99 6.38 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.63 1.172 . . . . 0.0 113.725 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.07 23.88 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.457 1.903 . . . . 0.0 113.301 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.166 2.587 . . . . 0.0 114.097 -175.649 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -149.43 168.61 22.97 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.547 1.539 . . . . 0.0 111.956 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.17 161.03 9.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.1 t30 -143.98 170.91 15.02 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.027 1.731 . . . . 0.0 110.998 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.22 60.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.738 2.815 . . . . 0.0 115.769 -175.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 67.34 -52.03 0.49 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.396 2.278 . . . . 0.0 112.298 -172.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -76.82 121.53 23.5 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 92.1 p -58.41 -23.18 56.59 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 117.965 2.58 . . . . 0.0 117.965 -166.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 37.3 m -77.11 55.51 1.16 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.028 1.285 . . . . 0.0 112.547 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 51.23 38.91 22.5 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.822 2.049 . . . . 0.0 113.671 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.09 -155.82 31.64 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 122.557 1.087 . . . . 0.0 115.623 -171.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -106.55 -179.35 3.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 128.364 2.666 . . . . 0.0 110.226 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -126.42 112.65 15.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.53 139.41 33.23 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.816 1.246 . . . . 0.0 109.335 -170.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 65.6 m 49.73 26.05 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 73.37 30.03 63.17 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.4 1.0 . . . . 0.0 114.504 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.7 164.63 29.9 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.37 1.585 . . . . 0.0 111.655 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp -100.72 133.35 45.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 -167.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt -70.48 -36.12 73.68 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 C-N-CA 126.359 1.933 . . . . 0.0 114.419 -169.601 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.2 t -151.41 156.42 40.65 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.603 1.161 . . . . 0.0 111.866 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 66.6 m -71.64 120.52 17.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.298 1.039 . . . . 0.0 110.099 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -154.0 153.06 31.29 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.948 0.795 . . . . 0.0 112.213 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -67.64 171.26 6.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.824 0.85 . . . . 0.0 113.085 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -58.67 -19.72 41.91 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 174.572 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -54.83 127.97 30.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.534 1.134 . . . . 0.0 112.689 -172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.8 tpt -160.6 164.74 31.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.28 1.432 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -128.02 156.41 42.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.274 1.43 . . . . 0.0 113.235 -169.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -139.13 27.9 2.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.277 1.831 . . . . 0.0 111.288 174.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.353 2.261 . . . . 0.0 113.875 -177.019 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.3 -23.16 61.13 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.94 167.72 21.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.957 1.703 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.3 t30 -143.94 118.67 9.85 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.667 1.587 . . . . 0.0 109.872 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 80.1 p 25.97 -90.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 128.29 2.636 . . . . 0.0 115.221 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -134.53 -40.35 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.019 2.528 . . . . 0.0 109.188 171.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -77.87 135.5 37.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.1 p -66.53 -13.56 61.12 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 -165.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 20.0 m -72.37 40.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.933 1.697 . . . . 0.0 113.371 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.5 t30 43.93 44.51 5.97 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 113.168 -168.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.48 -151.48 25.97 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 122.481 1.045 . . . . 0.0 113.776 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 -105.81 -175.04 2.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.811 2.044 . . . . 0.0 108.979 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1502 ' ' TYR . . . . . 0.428 ' HH ' ' CE1' ' B' ' 380' ' ' HIS . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -129.49 119.86 24.45 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.63 130.91 25.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.587 0.355 . . . . 0.0 111.131 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 45.8 m 48.71 32.09 3.39 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.18 32.09 40.34 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.467 -0.771 . . . . 0.0 114.234 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.26 151.55 43.8 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.378 1.471 . . . . 0.0 109.27 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.67 142.29 27.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.853 1.261 . . . . 0.0 110.705 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.477 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.4 -39.36 78.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 CA-C-O 116.576 -2.235 . . . . 0.0 115.337 -168.705 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 30.8 p -145.23 151.39 38.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.117 1.367 . . . . 0.0 112.389 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.5 m 6.13 92.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 129.624 3.17 . . . . 0.0 116.102 168.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 163.67 32.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.137 0.975 . . . . 0.0 113.206 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . 0.473 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 27.2 t-80 -64.2 178.63 0.66 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.69 1.596 . . . . 0.0 113.542 -178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . 0.473 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 63.9 mttm -51.94 -36.25 48.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.064 1.746 . . . . 0.0 113.656 177.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 177.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . 0.48 HD11 ' H ' ' B' ' 384' ' ' MET . 15.2 tp -63.4 135.07 56.71 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.647 1.112 . . . . 0.0 113.721 -168.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 384' ' ' MET . . . . . 0.48 ' H ' HD11 ' B' ' 383' ' ' LEU . 2.4 mmt -151.41 148.16 27.77 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.876 2.07 . . . . 0.0 112.092 -166.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -148.21 157.62 43.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.493 1.117 . . . . 0.0 112.932 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -132.66 23.39 4.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.515 1.926 . . . . 0.0 111.95 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.278 2.231 . . . . 0.0 113.82 -177.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.604 -0.198 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -148.32 161.81 40.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.453 1.501 . . . . 0.0 111.741 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.61 147.9 26.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.545 1.538 . . . . 0.0 111.08 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -146.71 168.19 21.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.766 1.226 . . . . 0.0 111.45 176.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.3 p -65.59 64.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 128.571 2.748 . . . . 0.0 114.894 -177.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 67.8 -57.99 0.45 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.716 2.407 . . . . 0.0 112.131 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -77.6 89.65 3.92 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 48.6 p -59.48 -26.63 65.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.602 1.161 . . . . 0.0 113.906 -170.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 61.7 m -69.64 -7.87 42.69 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -146.24 -38.07 0.24 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 171.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.72 -28.16 1.04 Allowed Glycine 0 N--CA 1.48 1.592 0 N-CA-C 120.17 2.828 . . . . 0.0 120.17 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -105.15 177.52 4.83 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.46 2.63 . . . . 0.0 112.164 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -122.76 148.04 45.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -140.51 164.25 30.64 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.091 1.756 . . . . 0.0 107.49 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 4.0 m -41.89 -15.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -167.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -162.12 22.22 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.205 1.383 . . . . 0.0 113.903 167.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -148.19 161.77 40.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.128 1.464 . . . . 0.0 113.067 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp -129.42 139.39 51.66 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.406 1.482 . . . . 0.0 110.533 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.15 -39.8 82.56 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.063 1.316 . . . . 0.0 113.419 -169.939 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.474 0.654 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.17 10.16 1.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -168.358 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 94.6 p -147.54 19.74 1.18 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -143.72 153.64 42.66 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -168.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -66.96 170.18 7.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.288 2.235 . . . . 0.0 114.121 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -69.84 -10.18 57.51 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.208 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 1.4 tt -62.85 146.45 52.69 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.469 1.107 . . . . 0.0 110.525 175.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.6 -34.77 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.673 2.471 . . . . 0.0 117.673 168.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . 0.278 60.7 m-85 80.83 54.06 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.41 1.884 . . . . 0.0 114.7 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.25 -15.46 63.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.433 1.093 . . . . 0.0 112.45 168.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.252 1.231 0 C-N-CA 129.383 3.073 . . . . 0.0 114.701 175.631 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 122.077 0.942 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.485 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.413 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.915 0.864 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.515 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.575 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1515 ' ' TYR . . . . . 0.408 ' CE1' HD12 ' A' 1602 ' ' LEU . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.678 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp . . . . . 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.678 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.609 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.543 0.697 0 CA-C-O 120.659 0.266 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.517 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.457 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' 1540 ' ' LEU . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 122.235 1.017 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.517 HD22 HD23 ' A' 1534 ' ' LEU . 2.6 mt . . . . . 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.572 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.428 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' 1540 ' ' LEU . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 122.08 0.943 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.579 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.516 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.75 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 122.146 0.974 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.516 HD22 HD23 ' A' 1534 ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' 1540 ' ' LEU . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 122.293 1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.456 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1487 ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' 1487 ' ' VAL . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.492 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.474 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' 1540 ' ' LEU . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 122.17 0.986 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.492 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.644 0.735 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1515 ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' 1602 ' ' LEU . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.542 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' 1493 ' ' ALA . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.642 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.759 ' H ' HD12 ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.871 0.843 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.475 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.642 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.591 0.71 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.578 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.435 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1534 ' ' LEU . 2.1 mt . . . . . 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.716 0.769 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.434 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.669 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.434 HD13 HD21 ' A' 1517 ' ' LEU . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.495 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.44 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.174 0.988 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.495 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 121.487 0.661 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.567 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.404 HD12 HD11 ' A' 1602 ' ' LEU . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.497 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.428 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' 1540 ' ' LEU . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.428 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1600 ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.497 HD22 HD23 ' A' 1534 ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.713 0.768 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1502 ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' 1519 ' ' PHE . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' 1502 ' ' TYR . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.666 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.629 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.461 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' 1540 ' ' LEU . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.629 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt . . . . . 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.334 0.588 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.586 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.568 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.451 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' 1540 ' ' LEU . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 121.86 0.838 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1583 ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.445 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.568 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.507 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.518 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 122.298 1.047 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.402 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1596 ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1600 ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.573 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1533 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.491 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.407 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 122.379 1.085 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1597 ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.491 HD22 HD23 ' A' 1534 ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.649 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.466 HD21 HD13 ' A' 1532 ' ' ILE . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1520 ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.649 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.469 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' 1540 ' ' LEU . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1583 ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.665 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' 1583 ' ' ARG . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.522 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.915 0.864 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1583 ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1596 ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1600 ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.522 HD22 HD23 ' A' 1534 ' ' LEU . 2.3 mt . . . . . 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.557 0.694 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.537 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.699 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.537 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.627 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.41 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.531 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.467 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 122.232 1.015 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.467 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1596 ' ' LEU . . . . . 0.418 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1600 ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.531 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 121.878 0.847 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.604 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.498 HD21 HD13 ' A' 1532 ' ' ILE . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.526 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.487 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' 1540 ' ' LEU . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.615 0.722 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.526 HD22 HD23 ' A' 1534 ' ' LEU . 2.2 mt . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -69.15 166.9 17.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.006 . . . . 0.0 112.868 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 80.0 mtp -62.73 163.11 9.74 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.839 1.256 . . . . 0.0 112.67 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -71.17 178.69 3.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.988 1.375 . . . . 0.0 114.409 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 p -66.48 61.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.844 3.258 . . . . 0.0 116.169 -171.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 69.9 -56.7 0.57 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.512 2.325 . . . . 0.0 112.644 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -60.59 121.34 11.94 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 87.2 p -61.55 -17.55 55.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -165.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 22.1 m -76.57 48.83 0.57 Allowed 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.546 1.521 . . . . 0.0 112.509 175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.7 t30 40.94 48.79 2.86 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.905 2.482 . . . . 0.0 114.536 -171.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.79 -148.03 23.55 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.191 0.9 . . . . 0.0 114.72 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -105.38 -176.34 3.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.794 2.038 . . . . 0.0 109.182 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.422 ' HE1' HD12 ' B' ' 383' ' ' LEU . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.485 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.413 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -125.06 135.86 53.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.89 102.05 4.61 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.033 0.933 . . . . 0.0 109.922 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 46.5 m 58.03 -37.13 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.578 3.151 . . . . 0.0 117.88 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -177.42 20.62 0.04 OUTLIER Glycine 0 CA--C 1.54 1.619 0 C-N-CA 127.361 2.41 . . . . 0.0 113.261 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -142.76 166.63 24.11 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.272 1.536 . . . . 0.0 111.851 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp -119.39 139.59 51.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.866 1.267 . . . . 0.0 111.881 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.515 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -68.8 -36.41 78.21 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 C-N-CA 126.067 1.794 . . . . 0.0 113.456 -169.909 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.8 t -146.66 179.56 7.48 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.579 1.152 . . . . 0.0 112.415 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 49.7 m -136.06 14.58 3.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.024 1.73 . . . . 0.0 113.554 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -125.3 158.99 32.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 114.191 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.533 ' HB3' HD11 ' B' ' 383' ' ' LEU . 21.7 t60 -73.4 172.38 11.36 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.259 1.824 . . . . 0.0 114.659 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 381' ' ' LYS . . . . . 0.42 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 22.5 ttmm -10.13 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 1 C-N-CA 132.093 4.157 . . . . 0.0 117.44 178.769 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.569 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.88 HD13 ' H ' ' B' ' 383' ' ' LEU 0.253 0.0 OUTLIER -74.91 11.44 1.09 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.771 1.628 . . . . 0.0 114.837 -174.027 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.16 50.8 1.09 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.916 1.286 . . . . 0.0 107.927 165.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.48 170.94 12.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 111.952 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -52.7 -37.61 59.31 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 110.317 169.733 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.345 -0.302 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.36 169.51 20.67 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.408 1.483 . . . . 0.0 111.825 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.56 166.04 7.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.123 1.369 . . . . 0.0 112.958 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -140.33 169.13 18.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.276 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 64.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 129.346 3.058 . . . . 0.0 115.787 -174.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 67.14 -53.13 0.47 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.201 2.2 . . . . 0.0 111.886 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.575 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.18 137.59 33.99 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 85.5 p -65.46 -177.78 0.45 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.419 1.488 . . . . 0.0 114.782 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.0 m 52.82 39.89 29.68 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.829 -1.169 . . . . 0.0 112.593 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.2 t30 49.97 54.88 10.3 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.309 2.244 . . . . 0.0 115.468 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.0 -153.82 14.51 Favored Glycine 0 CA--C 1.542 1.741 0 CA-C-O 121.9 0.722 . . . . 0.0 114.424 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -104.58 -176.46 3.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.535 1.934 . . . . 0.0 109.66 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1515 ' ' TYR . . . . . 0.408 ' CE1' HD12 ' A' 1602 ' ' LEU . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.678 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -127.14 111.72 14.32 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -141.75 141.34 33.23 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.92 1.288 . . . . 0.0 110.088 -170.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 69.4 m 50.4 26.38 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.62 27.37 71.19 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.439 1.019 . . . . 0.0 114.592 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -144.38 170.4 16.08 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.317 1.558 . . . . 0.0 111.596 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp -93.72 136.99 33.44 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.678 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -67.2 -35.91 80.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 C-N-CA 125.484 1.516 . . . . 0.0 113.695 -169.654 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -53.25 -25.87 15.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -171.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 12.6 m -64.93 -9.47 21.56 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -129.3 158.04 40.18 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.895 1.678 . . . . 0.0 112.175 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.547 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 29.6 t-80 -78.88 -170.46 2.18 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.484 1.513 . . . . 0.0 112.779 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 381' ' ' LYS . . . . . 0.547 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 67.0 mttm -52.85 -42.71 65.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.005 1.722 . . . . 0.0 114.072 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.993 1.317 . . . . 0.0 114.487 177.349 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.71 94.32 3.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.946 0.794 . . . . 0.0 110.349 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.6 tpt -171.32 142.24 1.68 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.465 1.906 . . . . 0.0 110.085 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -163.42 158.41 21.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 111.448 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -68.61 156.96 37.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.066 0.546 . . . . 0.0 112.242 170.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.257 1.474 0 C-N-CA 124.981 1.313 . . . . 0.0 113.08 169.257 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.57 164.56 34.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.284 1.434 . . . . 0.0 111.714 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 88.4 mtp -143.34 167.68 21.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.813 1.645 . . . . 0.0 112.572 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 66.2 t30 -144.76 167.05 23.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.868 1.667 . . . . 0.0 109.872 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.9 p -46.24 -60.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.878 1.671 . . . . 0.0 114.986 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -156.76 -54.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.045 2.138 . . . . 0.0 107.279 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.609 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -71.78 91.86 1.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 46.7 p -55.54 -26.49 43.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.917 2.087 . . . . 0.0 115.852 -167.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 62.7 m -61.86 -49.58 75.68 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -166.46 15.59 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -171.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -141.71 -142.88 4.15 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 119.673 2.629 . . . . 0.0 119.673 -166.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -105.28 -168.85 1.52 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.715 2.406 . . . . 0.0 111.388 -166.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.517 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.457 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' 1540 ' ' LEU . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -125.58 135.38 52.16 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -140.59 100.65 3.91 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.766 0.827 . . . . 0.0 110.512 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 28.35 0.39 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 112.52 15.01 9.88 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -138.06 159.86 40.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.088 1.944 . . . . 0.0 110.862 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp -118.24 138.77 52.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.612 1.165 . . . . 0.0 112.162 -168.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.517 HD22 HD23 ' A' 1534 ' ' LEU . 2.6 mt -68.82 -36.35 78.1 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 126.158 1.837 . . . . 0.0 114.664 -168.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 11.7 p -142.76 165.0 28.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.67 1.588 . . . . 0.0 111.952 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 68.3 m -52.67 138.0 29.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.088 1.355 . . . . 0.0 111.562 168.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.01 156.38 29.23 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 170.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.07 167.4 3.0 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.676 1.99 . . . . 0.0 113.08 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -61.34 -23.92 66.09 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 174.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.479 HD13 ' C ' ' B' ' 383' ' ' LEU . 3.0 tm? -58.78 124.76 20.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.926 1.239 . . . . 0.0 112.291 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 37.4 tpp -159.68 165.97 31.54 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.728 2.011 . . . . 0.0 109.736 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 385' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 60.8 m-85 -130.25 146.13 51.82 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -167.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -139.54 19.7 2.54 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.689 2.396 . . . . 0.0 110.424 168.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 130.183 3.393 . . . . 0.0 113.305 -169.189 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.55 -39.73 77.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.22 1.008 . . . . 0.0 113.323 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.9 mmm -74.07 155.39 38.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.058 0.943 . . . . 0.0 112.518 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.7 t30 -150.49 130.04 13.05 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.29 1.436 . . . . 0.0 110.154 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 77.8 p 12.73 -83.77 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.256 3.022 . . . . 0.0 115.903 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.78 -43.95 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.765 2.826 . . . . 0.0 108.376 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.572 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -66.78 128.08 34.93 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.1 p -65.01 -14.3 60.04 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -165.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.2 m -75.24 47.94 0.39 Allowed 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.302 1.865 . . . . 0.0 112.625 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.7 t30 40.43 47.04 2.17 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.874 2.47 . . . . 0.0 113.526 -169.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.59 -150.23 25.71 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.023 0.82 . . . . 0.0 114.562 -170.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -105.43 -176.14 2.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.858 1.663 . . . . 0.0 109.924 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.428 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' 1540 ' ' LEU . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -126.91 132.89 50.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.03 100.76 4.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.955 0.902 . . . . 0.0 110.754 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.9 m 45.39 34.57 1.58 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.93 16.77 14.37 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.45 1.024 . . . . 0.0 115.549 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.86 156.44 48.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.832 1.653 . . . . 0.0 109.503 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.7 145.32 36.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.793 1.637 . . . . 0.0 110.814 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -66.05 -49.43 67.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 CA-C-N 112.479 -2.146 . . . . 0.0 114.869 -168.663 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 m -59.47 138.86 57.54 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.297 1.039 . . . . 0.0 112.03 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 14.5 m -72.85 -0.42 13.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -140.3 162.04 36.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.526 1.93 . . . . 0.0 112.641 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 173.18 3.3 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.065 0.946 . . . . 0.0 112.352 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 123.86 6.54 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.882 2.073 . . . . 0.0 113.287 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . 0.284 . . . . . . . 0 N--CA 1.485 1.297 1 C-N-CA 132.26 4.224 . . . . 0.0 119.851 -176.099 . . . . . . . . 2 1 . 1 . 004 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 9.6 tt -65.67 134.13 52.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.654 1.181 . . . . 0.0 113.817 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 15.8 tpp 179.93 120.42 0.06 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.155 2.182 . . . . 0.0 111.512 168.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.66 174.9 10.59 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.94 2.096 . . . . 0.0 114.509 -170.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -74.35 -6.51 48.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.116 1.367 . . . . 0.0 113.802 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.245 2.218 . . . . 0.0 114.294 -178.063 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -141.77 163.53 32.65 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.297 1.439 . . . . 0.0 111.966 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.61 156.69 25.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.091 0.956 . . . . 0.0 113.113 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.6 p30 -145.32 -176.23 5.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.093 1.757 . . . . 0.0 111.908 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 3.0 p -69.9 56.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 128.288 2.635 . . . . 0.0 115.052 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 70.32 -48.45 0.64 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.111 2.164 . . . . 0.0 112.862 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -71.51 134.18 46.33 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.0 p -71.46 -9.85 58.84 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 119.032 2.975 . . . . 0.0 119.032 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -73.1 42.33 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 121.652 2.024 . . . . 0.0 112.819 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.4 t30 42.23 47.0 4.0 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.166 2.186 . . . . 0.0 112.186 -167.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -93.65 -151.99 28.72 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.242 0.925 . . . . 0.0 114.014 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 -105.05 -173.53 2.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.3 1.84 . . . . 0.0 108.996 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.579 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.516 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.75 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -122.99 141.0 52.44 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -141.07 100.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.758 0.823 . . . . 0.0 110.349 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.9 m 58.39 -42.78 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.843 2.857 . . . . 0.0 117.782 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -172.71 18.04 0.05 OUTLIER Glycine 0 CA--C 1.539 1.589 0 C-N-CA 127.172 2.32 . . . . 0.0 113.367 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.52 166.71 23.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.684 1.242 . . . . 0.0 110.546 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp -122.02 145.98 47.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.632 1.173 . . . . 0.0 112.932 -165.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.516 HD22 HD23 ' A' 1534 ' ' LEU . 2.0 mt -66.41 -34.36 77.79 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.233 0 CA-C-O 116.91 -2.05 . . . . 0.0 114.708 -169.502 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 10.5 t -149.98 176.28 10.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.328 1.451 . . . . 0.0 111.653 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 10.7 t -153.44 135.67 14.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.282 1.433 . . . . 0.0 111.103 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -153.81 149.93 27.92 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.09 176.98 6.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.956 1.302 . . . . 0.0 114.007 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.32 -30.67 40.35 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.935 2.094 . . . . 0.0 115.09 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 127.462 2.305 . . . . 0.0 108.631 171.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . 0.326 0.1 OUTLIER 116.22 12.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 1 C-N-CA 131.906 4.082 . . . . 0.0 112.677 178.342 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 89.24 2.34 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.461 -2.024 . . . . 0.0 109.146 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -124.96 166.62 16.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.852 2.061 . . . . 0.0 111.426 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -138.65 159.97 40.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.833 1.653 . . . . 0.0 111.459 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.36 1.864 . . . . 0.0 112.311 178.535 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -149.47 167.24 26.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.351 1.46 . . . . 0.0 111.854 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.18 164.22 9.01 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.373 . . . . 0.0 113.419 173.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.6 t30 -135.83 170.41 16.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.062 1.745 . . . . 0.0 111.879 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 60.8 p -55.57 171.12 0.21 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.869 166.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -25.9 -51.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 127.748 2.419 . . . . 0.0 114.541 168.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -87.23 107.43 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.7 p -60.82 -32.14 71.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 42.5 m -82.86 5.64 21.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -145.2 -41.72 0.23 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 135.61 -15.45 4.12 Favored Glycine 0 N--CA 1.477 1.428 0 N-CA-C 118.47 2.148 . . . . 0.0 118.47 170.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -105.23 170.7 7.73 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 120.77 2.285 . . . . 0.0 111.708 -170.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' 1540 ' ' LEU . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.38 139.58 53.55 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -135.58 104.17 5.71 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.079 0.552 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.5 m 47.85 35.22 4.57 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.5 11.35 29.23 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.438 1.018 . . . . 0.0 115.148 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -131.0 156.58 44.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.011 1.724 . . . . 0.0 109.023 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -115.04 146.41 41.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.585 1.554 . . . . 0.0 111.277 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.456 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -72.37 -35.92 68.6 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 126.505 2.002 . . . . 0.0 114.744 -169.021 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.978 0.418 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.0 t -152.13 156.98 40.91 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.01 1.324 . . . . 0.0 111.546 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.8 m -73.18 123.76 24.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 109.674 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -150.18 155.42 39.73 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.01 0.823 . . . . 0.0 112.745 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.81 163.59 11.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.956 1.702 . . . . 0.0 113.5 -173.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.17 -20.55 59.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 113.409 173.691 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.433 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.9 tm? -57.68 107.9 0.5 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.34 1.056 . . . . 0.0 112.293 -173.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 14.1 tpt -171.36 152.3 3.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.428 1.891 . . . . 0.0 111.502 167.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -162.93 159.8 24.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.269 1.828 . . . . 0.0 111.462 -171.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -63.52 153.88 34.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.406 0.682 . . . . 0.0 112.424 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.033 1.733 . . . . 0.0 110.78 -177.461 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.921 -0.071 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -136.69 12.52 3.18 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.851 1.26 . . . . 0.0 113.572 -175.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.2 mmt -138.24 164.85 28.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.041 1.337 . . . . 0.0 113.308 -169.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.67 166.99 23.62 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.621 1.968 . . . . 0.0 111.375 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.4 p -53.63 154.44 3.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.804 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -13.06 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 128.627 2.771 . . . . 0.0 115.799 169.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1487 ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' 1487 ' ' VAL . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -72.94 138.04 45.9 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 60.0 p -68.65 -173.5 0.46 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.639 1.175 . . . . 0.0 114.133 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.4 m 53.02 39.79 30.08 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.672 -1.268 . . . . 0.0 112.351 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.1 t30 49.76 53.88 11.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.415 2.286 . . . . 0.0 115.113 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.42 -157.57 24.56 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 122.007 0.782 . . . . 0.0 114.221 173.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -105.13 -173.03 2.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.648 1.979 . . . . 0.0 109.567 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.492 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.474 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' 1540 ' ' LEU . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -122.18 138.31 54.52 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -139.96 101.07 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.847 0.859 . . . . 0.0 109.85 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 70.6 m 58.19 -42.3 0.06 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.865 2.866 . . . . 0.0 117.334 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.68 24.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.434 0 C-N-CA 127.519 2.485 . . . . 0.0 112.976 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -142.8 166.8 23.65 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.94 1.37 . . . . 0.0 111.347 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp -118.47 141.27 48.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.623 1.169 . . . . 0.0 113.606 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.492 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -66.0 -33.25 75.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.876 1.703 . . . . 0.0 114.631 -169.469 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 -22.22 3.16 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -168.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.6 m -132.55 35.95 3.59 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 152.15 49.43 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.189 -0.945 . . . . 0.0 111.403 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.24 159.73 11.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.467 1.107 . . . . 0.0 112.845 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.53 -22.0 61.03 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 171.262 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 8.5 tt -83.11 137.65 34.0 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.29 130.92 0.37 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.55 1.94 . . . . 0.0 111.164 164.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -82.58 -176.32 6.19 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.043 1.737 . . . . 0.0 113.491 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -108.9 28.56 8.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.747 1.619 . . . . 0.0 111.984 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.218 2.207 . . . . 0.0 113.451 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -149.07 169.22 21.14 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.455 1.502 . . . . 0.0 111.779 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.4 mtp -62.74 166.25 5.69 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.17 1.388 . . . . 0.0 112.862 173.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.8 168.31 19.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.413 1.485 . . . . 0.0 111.423 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.57 63.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 128.875 2.87 . . . . 0.0 115.622 -173.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 67.82 -51.42 0.52 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.162 2.185 . . . . 0.0 112.159 -171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -63.24 122.0 15.09 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.3 p -61.79 -15.92 45.42 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 28.7 m -76.12 46.17 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.611 1.55 . . . . 0.0 112.678 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.9 t30 43.15 46.91 5.22 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.979 2.512 . . . . 0.0 114.571 -172.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.33 -146.56 21.07 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.205 0.892 . . . . 0.0 114.87 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -104.98 -171.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.973 2.109 . . . . 0.0 109.158 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1515 ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' 1602 ' ' LEU . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.542 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' 1493 ' ' ALA . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.642 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.759 ' H ' HD12 ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -124.53 138.69 54.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.77 100.57 3.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.74 0.816 . . . . 0.0 110.448 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 60.6 m 57.68 -43.92 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 129.142 2.977 . . . . 0.0 117.743 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.4 20.57 0.07 OUTLIER Glycine 0 CA--C 1.538 1.495 0 C-N-CA 127.48 2.467 . . . . 0.0 113.381 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.22 164.72 29.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.852 1.326 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -119.67 140.48 50.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.939 1.296 . . . . 0.0 111.381 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.475 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.642 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -65.5 -41.21 93.48 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 129.445 3.402 . . . . 0.0 117.161 -169.318 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m -58.5 137.11 57.59 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.056 1.343 . . . . 0.0 112.225 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 16.3 m -69.45 -14.85 63.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -122.27 158.95 28.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.753 1.221 . . . . 0.0 113.708 -169.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -51.57 159.23 0.78 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.498 3.119 . . . . 0.0 114.622 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.8 58.97 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 173.747 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.578 HD13 ' N ' ' B' ' 384' ' ' MET . 3.2 tm? -65.92 133.98 52.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.809 1.186 . . . . 0.0 112.998 -171.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 384' ' ' MET . . . . . 0.578 ' N ' HD13 ' B' ' 383' ' ' LEU . 5.3 tpt -162.06 164.81 27.94 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.431 1.892 . . . . 0.0 110.494 166.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 385' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' B' ' 383' ' ' LEU . 24.3 m-85 -135.01 163.4 29.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.738 1.615 . . . . 0.0 113.369 -169.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -134.92 23.95 3.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.456 1.902 . . . . 0.0 112.362 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.632 2.373 . . . . 0.0 113.58 -177.838 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -150.04 157.26 42.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.263 1.425 . . . . 0.0 111.918 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 94.6 mtp -143.15 145.02 32.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.801 1.641 . . . . 0.0 110.846 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.32 164.46 25.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.023 0.916 . . . . 0.0 113.096 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.4 p -67.58 60.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 129.002 2.921 . . . . 0.0 115.876 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 68.57 -51.89 0.56 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.351 2.261 . . . . 0.0 112.325 -174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -85.01 97.93 10.11 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 49.2 p -60.5 -27.75 67.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.196 1.398 . . . . 0.0 114.345 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 59.3 m -74.13 0.03 15.2 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -142.48 -51.07 0.38 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.02 -23.51 1.27 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 118.946 2.339 . . . . 0.0 118.946 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -105.71 172.36 6.84 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 120.542 2.171 . . . . 0.0 111.514 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.578 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.435 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -123.81 138.1 54.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -140.02 101.02 4.07 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.932 0.893 . . . . 0.0 109.773 -169.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.5 m 58.15 -40.33 0.05 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 129.121 2.968 . . . . 0.0 117.334 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -178.39 21.25 0.04 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 127.324 2.393 . . . . 0.0 113.536 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -141.92 164.4 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.372 1.586 . . . . 0.0 111.489 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -115.71 142.95 46.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.435 1.094 . . . . 0.0 113.821 -165.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1534 ' ' LEU . 2.1 mt -70.71 -40.08 73.06 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 C-N-CA 126.657 2.075 . . . . 0.0 112.342 -169.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 90.0 m -53.21 -42.2 66.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.07 1.748 . . . . 0.0 115.068 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 23.0 m -77.92 66.62 3.61 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -143.73 150.51 38.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.212 1.005 . . . . 0.0 112.156 169.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.427 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 55.7 t60 -64.24 171.23 3.16 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.517 1.127 . . . . 0.0 113.241 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 381' ' ' LYS . . . . . 0.427 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 62.1 mttm -52.95 -31.02 38.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.188 1.795 . . . . 0.0 115.568 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.203 1.401 . . . . 0.0 113.581 174.788 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.79 137.86 58.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.55 1.14 . . . . 0.0 113.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.9 tpt -167.67 153.5 7.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.299 2.24 . . . . 0.0 109.247 166.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -108.69 110.56 22.01 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -133.95 23.25 3.88 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.641 2.376 . . . . 0.0 110.145 168.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 129.896 3.278 . . . . 0.0 113.106 -170.067 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 112.641 -0.183 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -127.87 6.32 6.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.783 1.233 . . . . 0.0 114.256 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -152.9 160.4 43.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.248 1.419 . . . . 0.0 112.648 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.9 t30 -81.07 167.17 20.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.898 0.856 . . . . 0.0 112.852 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.2 p -67.5 61.45 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 129.104 2.962 . . . . 0.0 115.672 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.32 -52.13 0.55 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.958 2.103 . . . . 0.0 112.191 -173.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -78.15 100.22 6.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.2 p -57.7 -29.3 64.58 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 60.9 m -78.33 -6.82 56.23 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.4 -13.03 0.4 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 124.65 -25.95 5.8 Favored Glycine 0 N--CA 1.481 1.658 0 N-CA-C 120.259 2.864 . . . . 0.0 120.259 165.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.94 172.5 6.79 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.673 2.236 . . . . 0.0 111.796 -170.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.434 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.669 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.434 HD13 HD21 ' A' 1517 ' ' LEU . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.495 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.44 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -127.85 132.99 49.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -136.0 99.83 4.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.908 0.385 . . . . 0.0 110.998 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.2 m 45.57 33.23 1.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 107.83 17.5 11.01 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.807 1.194 . . . . 0.0 115.374 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.54 152.19 50.96 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.996 1.718 . . . . 0.0 109.997 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp -123.22 129.76 51.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.714 1.205 . . . . 0.0 112.027 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.495 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -73.33 -53.27 11.2 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-N 111.752 -2.476 . . . . 0.0 114.496 -168.107 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 t -148.99 165.65 30.99 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.286 1.434 . . . . 0.0 111.329 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.3 m -77.19 7.59 4.94 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -137.96 167.94 20.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.868 2.067 . . . . 0.0 113.329 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.81 156.17 14.69 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.348 1.059 . . . . 0.0 112.239 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -65.9 29.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.526 2.788 . . . . 0.0 118.526 -167.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.814 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.13 174.15 6.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 118.589 2.811 . . . . 0.0 118.589 -162.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 5.7 tpt -175.19 92.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.417 3.087 . . . . 0.0 109.011 168.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.21 164.37 18.35 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -140.76 39.24 1.83 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 110.858 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.143 1.777 . . . . 0.0 113.403 -176.824 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.991 0 N-CA-C 112.841 -0.104 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.52 5.48 6.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.709 1.204 . . . . 0.0 114.117 -172.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 28.1 ptm -152.25 178.7 9.23 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.222 1.409 . . . . 0.0 112.333 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.0 t30 -137.15 170.44 16.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.415 1.486 . . . . 0.0 111.365 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.09 65.26 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 128.804 2.842 . . . . 0.0 114.747 -176.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 67.08 -57.15 0.43 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.461 2.305 . . . . 0.0 112.05 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -84.77 109.92 18.42 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -59.47 -37.99 79.63 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.6 m -73.94 -15.48 61.12 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 16.6 m120 -134.31 -14.68 2.27 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 108.84 -13.61 34.82 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -107.11 171.74 7.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.868 2.334 . . . . 0.0 112.242 -173.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.567 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.404 HD12 HD11 ' A' 1602 ' ' LEU . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.497 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.428 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' 1540 ' ' LEU . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -129.43 119.36 23.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.81 132.38 27.07 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.871 0.468 . . . . 0.0 111.149 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.9 m 47.6 33.66 3.11 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.75 32.41 50.32 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.173 0.892 . . . . 0.0 114.513 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -141.2 151.6 43.92 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.492 1.517 . . . . 0.0 109.217 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.46 144.82 24.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.428 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1600 ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.497 HD22 HD23 ' A' 1534 ' ' LEU . 1.3 mt -71.42 -35.79 71.08 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 126.82 2.153 . . . . 0.0 114.611 -169.16 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 41.7 p -93.81 -30.19 14.96 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -169.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 73.2 p -147.88 22.42 1.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -164.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.42 151.28 49.56 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 119.772 1.169 . . . . 0.0 112.283 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -70.35 179.01 2.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 -167.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -58.66 -37.49 76.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.245 2.218 . . . . 0.0 113.035 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 126.116 1.767 . . . . 0.0 112.36 179.368 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.519 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.8 tm? -52.08 120.06 5.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.86 0.864 . . . . 0.0 111.536 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.7 tpt -165.36 164.35 19.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.854 2.062 . . . . 0.0 109.98 168.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.39 157.02 44.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.307 1.443 . . . . 0.0 113.976 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -134.86 26.91 3.62 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.202 1.801 . . . . 0.0 112.206 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.633 1.973 . . . . 0.0 111.889 -173.623 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -150.24 159.37 44.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.517 1.527 . . . . 0.0 111.572 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 78.9 mtm -138.45 -54.57 0.62 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 113.155 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -155.09 166.33 33.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.191 0.997 . . . . 0.0 112.044 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 59.78 0.13 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.694 2.798 . . . . 0.0 115.726 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.05 -52.16 0.53 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.134 2.174 . . . . 0.0 112.457 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -77.42 115.32 17.09 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.1 p -60.5 -37.62 81.69 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -168.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 47.1 m -77.88 -11.59 59.91 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -138.59 -21.86 1.0 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 117.41 -14.81 13.23 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 119.272 2.469 . . . . 0.0 119.272 167.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -106.21 175.49 5.48 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 121.601 2.7 . . . . 0.0 111.795 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' 1519 ' ' PHE . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' 1502 ' ' TYR . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.666 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.629 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.461 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' 1540 ' ' LEU . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -124.36 136.53 54.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.58 100.92 3.98 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.928 0.891 . . . . 0.0 110.582 -169.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.3 m 46.54 29.18 0.87 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.73 14.54 15.35 Favored Glycine 0 CA--C 1.539 1.54 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.55 163.44 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.973 1.887 . . . . 0.0 111.32 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp -115.76 142.92 46.12 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 -166.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.629 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt -68.75 -38.97 80.49 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 126.542 2.02 . . . . 0.0 115.737 -168.818 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.5 t -70.62 -16.18 62.81 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 20.0 m -66.0 71.75 0.06 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.159 2.184 . . . . 0.0 115.011 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -131.04 161.18 32.57 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.362 1.865 . . . . 0.0 112.584 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.58 172.13 4.45 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.423 2.289 . . . . 0.0 113.255 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -57.95 -23.83 55.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 C-N-CA 126.451 1.9 . . . . 0.0 110.706 -179.204 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.4 tm? -59.73 102.35 0.15 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.585 0.754 . . . . 0.0 112.911 -170.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.1 tpt -175.96 145.78 0.67 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.908 2.883 . . . . 0.0 108.67 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.86 170.09 21.35 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.75 1.22 . . . . 0.0 112.866 -168.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -116.98 35.04 4.8 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.044 1.737 . . . . 0.0 112.2 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.815 2.046 . . . . 0.0 114.048 178.192 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -66.57 -31.82 72.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.385 1.074 . . . . 0.0 113.878 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 98.3 mtp -141.98 168.22 20.28 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.105 1.762 . . . . 0.0 111.489 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -145.64 120.1 9.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.387 1.475 . . . . 0.0 110.076 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 78.6 p 23.53 -87.65 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.855 2.862 . . . . 0.0 115.457 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -138.05 -43.4 0.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 128.414 2.686 . . . . 0.0 108.471 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -83.9 105.34 14.71 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 59.1 p -60.91 -33.54 73.29 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -169.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 48.8 m -72.23 -15.4 61.93 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -174.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -136.44 -15.97 1.62 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.75 19.76 Favored Glycine 0 N--CA 1.48 1.572 0 N-CA-C 119.404 2.522 . . . . 0.0 119.404 166.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -107.98 176.98 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.141 2.47 . . . . 0.0 112.342 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.586 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.568 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.451 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' 1540 ' ' LEU . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -123.5 137.74 54.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.92 100.45 3.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.048 0.939 . . . . 0.0 110.438 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 56.5 m 57.14 -43.85 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.133 2.973 . . . . 0.0 117.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.67 19.84 0.07 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.322 2.391 . . . . 0.0 113.276 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -138.6 161.21 37.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.856 1.263 . . . . 0.0 110.837 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp -123.15 140.98 52.46 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.94 1.296 . . . . 0.0 111.559 -167.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1583 ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1584 ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' B' ' 385' ' ' PHE . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.445 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.568 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -68.11 -36.63 80.06 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 127.601 2.524 . . . . 0.0 114.466 -169.69 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . 0.269 1.9 t 49.93 -176.95 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 128.458 2.703 . . . . 0.0 115.786 -173.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 72.8 m -141.1 136.66 32.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.912 2.485 . . . . 0.0 108.506 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -153.65 152.36 30.74 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.489 1.041 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 30.3 t-80 -66.52 179.16 1.07 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.913 1.285 . . . . 0.0 112.866 176.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 381' ' ' LYS . . . . . 0.429 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 66.3 mttm -54.44 -36.64 64.28 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.554 1.942 . . . . 0.0 114.743 -172.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.927 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' B' ' 385' ' ' PHE . 2.5 tm? -69.1 135.06 50.18 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -170.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 8.1 tpt -159.01 83.19 0.79 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.22 1.408 . . . . 0.0 111.445 166.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 385' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 24.6 m-85 -55.4 125.32 20.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.956 0.902 . . . . 0.0 113.089 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.98 31.11 2.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.143 2.177 . . . . 0.0 111.358 175.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.254 1.33 0 C-N-CA 126.796 2.038 . . . . 0.0 112.047 -172.696 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -148.68 160.06 43.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.379 1.471 . . . . 0.0 111.909 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 83.0 mmm -143.43 145.91 33.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.834 1.654 . . . . 0.0 111.552 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -68.06 164.14 20.83 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.268 1.032 . . . . 0.0 112.473 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 81.2 p -55.63 156.62 4.64 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.632 165.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -9.54 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 128.798 2.839 . . . . 0.0 115.796 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -89.81 110.74 21.64 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -62.83 -29.93 71.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.95 1.3 . . . . 0.0 114.493 -169.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 50.0 m -80.64 1.76 28.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -145.52 -36.84 0.28 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 128.83 -14.15 6.04 Favored Glycine 0 N--CA 1.477 1.415 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 169.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -105.06 171.62 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.444 2.122 . . . . 0.0 110.745 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.507 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.518 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -124.06 138.11 54.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -140.3 100.73 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.986 0.915 . . . . 0.0 110.16 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 66.8 m 58.23 -42.11 0.06 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.147 2.979 . . . . 0.0 117.32 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.21 21.85 0.05 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.412 2.434 . . . . 0.0 113.393 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -141.59 165.44 27.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.223 1.512 . . . . 0.0 111.375 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp -118.06 143.7 46.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.586 1.154 . . . . 0.0 113.589 -166.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.402 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1596 ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1600 ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt -68.74 -35.96 77.79 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.302 0 C-N-CA 126.607 2.051 . . . . 0.0 114.78 -169.303 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 14.7 t -67.67 -36.77 81.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 21.2 m 52.9 22.7 2.49 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -124.54 152.32 43.6 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.737 1.215 . . . . 0.0 113.112 -168.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.73 162.11 5.58 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 114.715 -169.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -36.34 -46.24 0.52 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 129.183 2.993 . . . . 0.0 117.053 -169.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 125.34 1.456 . . . . 0.0 113.183 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' B' ' 385' ' ' PHE . 0.6 OUTLIER -71.12 113.09 7.79 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 26.6 tpp -165.03 156.07 14.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.273 2.629 . . . . 0.0 106.577 163.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 385' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' B' ' 383' ' ' LEU . 21.7 m-85 -115.64 159.76 20.91 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -164.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -130.56 18.96 5.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.914 2.486 . . . . 0.0 111.047 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.153 2.581 . . . . 0.0 113.882 177.363 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -141.3 162.33 35.74 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.276 1.43 . . . . 0.0 112.095 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.3 mtm -140.55 169.29 17.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.63 1.572 . . . . 0.0 111.703 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.3 t30 -142.61 89.83 2.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.517 1.527 . . . . 0.0 109.766 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 88.7 p 41.96 -84.23 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.148 2.579 . . . . 0.0 115.716 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -141.15 -52.92 0.46 Allowed 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.247 2.619 . . . . 0.0 107.856 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -77.41 117.09 18.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 63.4 p -65.5 -33.84 76.88 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.1 m -77.02 -4.3 43.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -146.54 -32.37 0.33 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 95.51 53.72 1.53 Allowed Glycine 0 CA--C 1.532 1.137 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 169.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.85 175.85 9.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.375 2.27 . . . . 0.0 107.605 169.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.573 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1533 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.491 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.407 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -123.76 135.38 53.79 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.05 106.83 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.136 0.974 . . . . 0.0 109.781 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.5 m 57.99 -37.14 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 129.406 3.082 . . . . 0.0 118.12 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 178.44 21.41 0.03 OUTLIER Glycine 0 CA--C 1.536 1.387 0 C-N-CA 127.2 2.333 . . . . 0.0 113.329 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -143.39 160.97 39.58 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.27 1.535 . . . . 0.0 111.643 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp -117.11 140.22 49.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.979 1.312 . . . . 0.0 112.392 -167.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1597 ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.491 HD22 HD23 ' A' 1534 ' ' LEU . 4.8 mt -65.93 -39.78 90.8 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 C-N-CA 126.436 1.969 . . . . 0.0 112.73 -169.53 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 49.1 m -135.15 138.93 44.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.067 1.347 . . . . 0.0 110.531 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 20.9 2.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -169.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.1 141.27 49.95 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.828 1.251 . . . . 0.0 111.745 -168.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -54.44 154.06 5.02 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.207 2.203 . . . . 0.0 115.136 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -53.8 -23.51 12.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.805 2.842 . . . . 0.0 117.775 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 125.023 1.329 . . . . 0.0 112.762 -178.32 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' B' ' 385' ' ' PHE . 1.9 tm? -51.94 131.19 31.04 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.661 1.584 . . . . 0.0 111.794 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.04 155.44 29.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 385' ' ' PHE . . . . . 0.532 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 25.7 m-85 -117.42 54.39 0.89 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.78 1.632 . . . . 0.0 112.933 -169.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -66.65 -16.28 64.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.502 1.121 . . . . 0.0 112.088 167.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.857 3.263 . . . . 0.0 114.848 172.235 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.012 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.41 -33.16 75.08 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.314 1.045 . . . . 0.0 113.769 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.8 ttt -150.43 168.2 24.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.501 1.52 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 65.7 t30 -139.2 165.01 28.3 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.312 1.445 . . . . 0.0 109.818 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 56.9 p -46.33 -60.07 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.864 1.666 . . . . 0.0 115.307 -169.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -155.86 -54.84 0.09 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.974 2.11 . . . . 0.0 106.917 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.649 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -60.35 120.18 9.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -19.6 63.74 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -166.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 69.3 m -79.44 52.23 1.35 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.967 1.258 . . . . 0.0 112.011 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.7 t30 40.44 52.11 2.92 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.411 2.684 . . . . 0.0 115.472 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.34 -148.28 23.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.097 0.856 . . . . 0.0 114.3 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -105.14 -172.9 2.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.579 1.952 . . . . 0.0 109.238 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.466 HD21 HD13 ' A' 1532 ' ' ILE . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1520 ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.649 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.469 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' 1540 ' ' LEU . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.54 136.93 54.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -140.43 100.56 3.91 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.518 0.727 . . . . 0.0 111.18 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.7 m 46.6 27.45 0.64 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.886 1.809 . . . . 0.0 115.886 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.65 17.97 9.97 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-O 118.33 -1.261 . . . . 0.0 116.163 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -139.26 167.86 21.12 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.517 2.159 . . . . 0.0 111.765 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp -115.38 138.88 50.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 -167.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1583 ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -69.12 -37.81 78.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.337 0 C-N-CA 125.633 1.587 . . . . 0.0 113.562 -169.673 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.8 m -140.96 145.21 35.71 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.961 1.304 . . . . 0.0 111.062 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 51.1 m 45.99 51.26 10.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.196 1.799 . . . . 0.0 115.19 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -141.7 155.05 45.68 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 380' ' ' HIS . . . . . 0.406 ' CE1' ' HG2' ' B' ' 381' ' ' LYS . 47.0 t-80 -70.46 167.59 17.97 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.137 1.775 . . . . 0.0 113.528 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 381' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' B' ' 380' ' ' HIS . 0.7 OUTLIER -65.0 -24.51 67.53 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.007 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 124.265 1.026 . . . . 0.0 113.489 174.362 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.508 HD13 ' C ' ' B' ' 383' ' ' LEU . 2.4 tm? -59.55 118.52 6.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.418 1.008 . . . . 0.0 111.347 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.8 tpt -165.28 160.33 18.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.793 1.637 . . . . 0.0 111.203 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.44 39.72 3.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.073 1.749 . . . . 0.0 113.262 -168.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -76.68 56.9 1.19 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.013 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.255 1.373 0 C-N-CA 127.155 2.182 . . . . 0.0 112.132 -170.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.033 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -128.79 12.17 6.24 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.861 1.264 . . . . 0.0 113.504 -173.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -136.24 165.87 24.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -144.88 90.93 2.1 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.754 1.622 . . . . 0.0 109.551 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 89.4 p 40.79 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 128.138 2.575 . . . . 0.0 115.466 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.36 -52.54 0.54 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.01 2.524 . . . . 0.0 107.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.665 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -76.82 125.65 29.64 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 97.8 p -60.38 -21.19 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -166.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.0 m -76.4 45.55 0.39 Allowed 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.82 1.645 . . . . 0.0 112.694 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 43.39 48.3 5.96 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.969 2.508 . . . . 0.0 114.922 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.36 -145.62 19.2 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 123.845 0.735 . . . . 0.0 114.731 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -104.66 -173.58 2.34 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.692 1.997 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' 1583 ' ' ARG . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.522 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -115.41 143.19 45.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -140.14 163.98 31.28 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 108.12 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.0 m -47.62 94.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.844 1.257 . . . . 0.0 114.112 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.56 28.8 71.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.097 1.332 . . . . 0.0 115.306 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -145.1 150.21 36.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.538 1.669 . . . . 0.0 110.784 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp -130.8 129.56 42.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.053 1.341 . . . . 0.0 110.239 -175.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1583 ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1596 ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1600 ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.522 HD22 HD23 ' A' 1534 ' ' LEU . 2.3 mt -72.32 -40.35 67.51 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.336 0 CA-C-O 116.45 -2.306 . . . . 0.0 116.002 -168.897 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.995 0.426 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -153.52 -178.19 6.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 111.394 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 8.7 t -137.03 144.89 43.48 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.348 1.859 . . . . 0.0 109.19 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.76 37.39 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.137 0.88 . . . . 0.0 113.224 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -65.2 174.81 1.87 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.681 1.992 . . . . 0.0 114.376 -172.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -49.1 -43.29 41.15 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.29 1.836 . . . . 0.0 112.575 172.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 169.399 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' C ' ' B' ' 383' ' ' LEU . 3.0 tm? -66.02 119.99 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.461 1.028 . . . . 0.0 112.437 -171.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -157.81 135.17 10.3 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.899 1.679 . . . . 0.0 109.124 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -79.68 73.99 6.38 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.63 1.172 . . . . 0.0 113.725 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.07 23.88 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.457 1.903 . . . . 0.0 113.301 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.166 2.587 . . . . 0.0 114.097 -175.649 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -149.43 168.61 22.97 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.547 1.539 . . . . 0.0 111.956 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.17 161.03 9.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.1 t30 -143.98 170.91 15.02 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.027 1.731 . . . . 0.0 110.998 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.22 60.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.738 2.815 . . . . 0.0 115.769 -175.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 67.34 -52.03 0.49 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.396 2.278 . . . . 0.0 112.298 -172.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.401 ' CE3' HH22 ' B' ' 382' ' ' MLY . 20.2 t-105 -76.82 121.53 23.5 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 92.1 p -58.41 -23.18 56.59 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 117.965 2.58 . . . . 0.0 117.965 -166.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 37.3 m -77.11 55.51 1.16 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.028 1.285 . . . . 0.0 112.547 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 51.23 38.91 22.5 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.822 2.049 . . . . 0.0 113.671 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.09 -155.82 31.64 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 122.557 1.087 . . . . 0.0 115.623 -171.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -106.55 -179.35 3.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 128.364 2.666 . . . . 0.0 110.226 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.443 ' CG ' HH21 ' B' ' 382' ' ' MLY . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.537 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.699 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -126.42 112.65 15.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.53 139.41 33.23 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.816 1.246 . . . . 0.0 109.335 -170.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 65.6 m 49.73 26.05 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 73.37 30.03 63.17 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.4 1.0 . . . . 0.0 114.504 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.7 164.63 29.9 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.37 1.585 . . . . 0.0 111.655 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp -100.72 133.35 45.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 -167.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.537 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -70.48 -36.12 73.68 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 C-N-CA 126.359 1.933 . . . . 0.0 114.419 -169.601 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.2 t -151.41 156.42 40.65 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.603 1.161 . . . . 0.0 111.866 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 66.6 m -71.64 120.52 17.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.298 1.039 . . . . 0.0 110.099 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -154.0 153.06 31.29 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.948 0.795 . . . . 0.0 112.213 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -67.64 171.26 6.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.824 0.85 . . . . 0.0 113.085 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -58.67 -19.72 41.91 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 382' ' ' MLY . . . . . 0.443 HH21 ' CG ' ' A' 1523 ' ' TYR . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.443 HD13 ' C ' ' B' ' 383' ' ' LEU . 2.8 tm? -54.83 127.97 30.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.534 1.134 . . . . 0.0 112.689 -172.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.8 tpt -160.6 164.74 31.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.28 1.432 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -128.02 156.41 42.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.274 1.43 . . . . 0.0 113.235 -169.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -139.13 27.9 2.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.277 1.831 . . . . 0.0 111.288 174.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.353 2.261 . . . . 0.0 113.875 -177.019 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.3 -23.16 61.13 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.94 167.72 21.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.957 1.703 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.3 t30 -143.94 118.67 9.85 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.667 1.587 . . . . 0.0 109.872 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 80.1 p 25.97 -90.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 128.29 2.636 . . . . 0.0 115.221 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -134.53 -40.35 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.019 2.528 . . . . 0.0 109.188 171.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.627 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -77.87 135.5 37.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.1 p -66.53 -13.56 61.12 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 -165.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 20.0 m -72.37 40.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.933 1.697 . . . . 0.0 113.371 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.5 t30 43.93 44.51 5.97 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 113.168 -168.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.48 -151.48 25.97 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 122.481 1.045 . . . . 0.0 113.776 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 -105.81 -175.04 2.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.811 2.044 . . . . 0.0 108.979 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.41 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.531 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.467 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -129.49 119.86 24.45 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.63 130.91 25.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.587 0.355 . . . . 0.0 111.131 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 45.8 m 48.71 32.09 3.39 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.18 32.09 40.34 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.467 -0.771 . . . . 0.0 114.234 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.26 151.55 43.8 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.378 1.471 . . . . 0.0 109.27 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.67 142.29 27.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.853 1.261 . . . . 0.0 110.705 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.467 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1596 ' ' LEU . . . . . 0.418 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.531 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -69.4 -39.36 78.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 CA-C-O 116.576 -2.235 . . . . 0.0 115.337 -168.705 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 30.8 p -145.23 151.39 38.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.117 1.367 . . . . 0.0 112.389 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.5 m 6.13 92.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 129.624 3.17 . . . . 0.0 116.102 168.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 163.67 32.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.137 0.975 . . . . 0.0 113.206 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -64.2 178.63 0.66 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.69 1.596 . . . . 0.0 113.542 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -51.94 -36.25 48.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.064 1.746 . . . . 0.0 113.656 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 177.976 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.497 HD12 ' H ' ' B' ' 384' ' ' MET . 15.2 tp -63.4 135.07 56.71 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.647 1.112 . . . . 0.0 113.721 -168.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 384' ' ' MET . . . . . 0.497 ' H ' HD12 ' B' ' 383' ' ' LEU . 2.4 mmt -151.41 148.16 27.77 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.876 2.07 . . . . 0.0 112.092 -166.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -148.21 157.62 43.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.493 1.117 . . . . 0.0 112.932 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -132.66 23.39 4.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.515 1.926 . . . . 0.0 111.95 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.278 2.231 . . . . 0.0 113.82 -177.903 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.604 -0.198 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -148.32 161.81 40.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.453 1.501 . . . . 0.0 111.741 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.61 147.9 26.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.545 1.538 . . . . 0.0 111.08 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -146.71 168.19 21.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.766 1.226 . . . . 0.0 111.45 176.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.3 p -65.59 64.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 128.571 2.748 . . . . 0.0 114.894 -177.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 67.8 -57.99 0.45 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.716 2.407 . . . . 0.0 112.131 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.604 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -77.6 89.65 3.92 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 48.6 p -59.48 -26.63 65.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.602 1.161 . . . . 0.0 113.906 -170.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 61.7 m -69.64 -7.87 42.69 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -146.24 -38.07 0.24 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 171.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.72 -28.16 1.04 Allowed Glycine 0 N--CA 1.48 1.592 0 N-CA-C 120.17 2.828 . . . . 0.0 120.17 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -105.15 177.52 4.83 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.46 2.63 . . . . 0.0 112.164 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.498 HD21 HD13 ' A' 1532 ' ' ILE . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.526 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.487 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' 1540 ' ' LEU . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -122.76 148.04 45.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -140.51 164.25 30.64 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.091 1.756 . . . . 0.0 107.49 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 4.0 m -41.89 -15.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -167.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -162.12 22.22 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.205 1.383 . . . . 0.0 113.903 167.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -148.19 161.77 40.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.128 1.464 . . . . 0.0 113.067 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp -129.42 139.39 51.66 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.406 1.482 . . . . 0.0 110.533 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.526 HD22 HD23 ' A' 1534 ' ' LEU . 2.2 mt -68.15 -39.8 82.56 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.063 1.316 . . . . 0.0 113.419 -169.939 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.474 0.654 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.17 10.16 1.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -168.358 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 94.6 p -147.54 19.74 1.18 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -143.72 153.64 42.66 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -168.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -66.96 170.18 7.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.288 2.235 . . . . 0.0 114.121 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -69.84 -10.18 57.51 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.208 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 383' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 383' ' ' LEU . 1.4 tt -62.85 146.45 52.69 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.469 1.107 . . . . 0.0 110.525 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.6 -34.77 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.673 2.471 . . . . 0.0 117.673 168.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . 0.278 60.7 m-85 80.83 54.06 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.41 1.884 . . . . 0.0 114.7 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.25 -15.46 63.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.433 1.093 . . . . 0.0 112.45 168.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.252 1.231 0 C-N-CA 129.383 3.073 . . . . 0.0 114.701 175.631 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 . . . . . 0 N--CA 1.474 0.751 0 CA-C-O 122.077 0.942 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 . . . . . 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.485 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.413 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp . . . . . 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp . . . . . 0 CA--C 1.533 0.326 0 CA-C-O 121.915 0.864 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.515 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.404 0.621 . . . . 0.0 111.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.575 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . 0.408 ' CE1' HD12 ' A' 1602 ' ' LEU . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.678 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp . . . . . 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.678 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.609 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 . . . . . 0 CA--C 1.543 0.697 0 CA-C-O 120.659 0.266 . . . . 0.0 111.388 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.517 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.457 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' 1540 ' ' LEU . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp . . . . . 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 122.235 1.017 . . . . 0.0 112.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.517 HD22 HD23 ' A' 1534 ' ' LEU . 2.6 mt . . . . . 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.572 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 . . . . . 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 . . . . . 0 CA--C 1.537 0.461 0 CA-C-O 121.15 0.5 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.428 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' 1540 ' ' LEU . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp . . . . . 0 CA--C 1.536 0.405 0 CA-C-O 122.08 0.943 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 . . . . . 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 . . . . . 0 CA--C 1.542 0.646 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.579 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.516 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.75 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 122.146 0.974 . . . . 0.0 112.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.516 HD22 HD23 ' A' 1534 ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 N--CA 1.463 0.204 0 N-CA-C 114.541 1.312 . . . . 0.0 114.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' 1540 ' ' LEU . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 122.293 1.044 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.456 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 N--CA 1.468 0.463 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' 1487 ' ' VAL . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 . . . . . 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.492 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.474 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' 1540 ' ' LEU . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp . . . . . 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp . . . . . 0 CA--C 1.537 0.443 0 CA-C-O 122.17 0.986 . . . . 0.0 113.606 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.492 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.644 0.735 . . . . 0.0 112.159 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' 1602 ' ' LEU . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.542 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' 1493 ' ' ALA . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.642 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.759 ' H ' HD12 ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp . . . . . 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.871 0.843 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.475 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.642 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.472 0.668 0 CA-C-O 121.591 0.71 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.845 0.355 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.578 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.435 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp . . . . . 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1534 ' ' LEU . 2.1 mt . . . . . 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.716 0.769 . . . . 0.0 112.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.434 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.669 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.434 HD13 HD21 ' A' 1517 ' ' LEU . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.495 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.44 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 122.174 0.988 . . . . 0.0 112.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.495 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 121.487 0.661 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.567 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.404 HD12 HD11 ' A' 1602 ' ' LEU . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.497 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.428 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' 1540 ' ' LEU . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.428 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.497 HD22 HD23 ' A' 1534 ' ' LEU . 1.3 mt . . . . . 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 121.713 0.768 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 . . . . . 0 N--CA 1.485 1.299 0 CA-C-O 120.991 0.424 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' 1519 ' ' PHE . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' 1502 ' ' TYR . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.666 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.629 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.461 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' 1540 ' ' LEU . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.629 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt . . . . . 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 N--CA 1.446 -0.648 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.334 0.588 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.586 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.568 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.451 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' 1540 ' ' LEU . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 121.86 0.838 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.445 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.568 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 . . . . . 0 N--CA 1.483 1.218 0 CA-C-O 120.841 0.353 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.507 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.518 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp . . . . . 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.535 0.391 0 CA-C-O 122.298 1.047 . . . . 0.0 113.589 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.402 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt . . . . . 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.573 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.491 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.407 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp . . . . . 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp . . . . . 0 CA--C 1.535 0.379 0 CA-C-O 122.379 1.085 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.491 HD22 HD23 ' A' 1534 ' ' LEU . 4.8 mt . . . . . 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.649 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 . . . . . 0 CA--C 1.546 0.812 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.466 HD21 HD13 ' A' 1532 ' ' ILE . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.649 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.469 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' 1540 ' ' LEU . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp . . . . . 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp . . . . . 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.665 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 . . . . . 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' 1583 ' ' ARG . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.522 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp . . . . . 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.915 0.864 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.522 HD22 HD23 ' A' 1534 ' ' LEU . 2.3 mt . . . . . 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.557 0.694 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 . . . . . 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 120.953 0.406 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.537 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.699 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp . . . . . 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.537 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.627 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 . . . . . 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.41 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.531 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.467 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 122.232 1.015 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.467 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . 0.418 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.531 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 121.878 0.847 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.604 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 . . . . . 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.498 HD21 HD13 ' A' 1532 ' ' ILE . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.526 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.487 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' 1540 ' ' LEU . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp . . . . . 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.615 0.722 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.526 HD22 HD23 ' A' 1534 ' ' LEU . 2.2 mt . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.797 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -69.15 166.9 17.27 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.216 1.006 . . . . 0.0 112.868 177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 80.0 mtp -62.73 163.11 9.74 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.839 1.256 . . . . 0.0 112.67 173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 14.4 p-10 -71.17 178.69 3.17 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 122.988 1.375 . . . . 0.0 114.409 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 2.9 p -66.48 61.46 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 129.844 3.258 . . . . 0.0 116.169 -171.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.7 m-85 69.9 -56.7 0.57 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 127.512 2.325 . . . . 0.0 112.644 178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 23.5 t -49.84 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 129.631 3.173 . . . . 0.0 111.969 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.49 -24.16 5.6 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 125.07 1.319 . . . . 0.0 113.802 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -70.05 135.92 49.78 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.739 1.216 . . . . 0.0 112.259 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -75.11 123.58 25.48 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.843 1.257 . . . . 0.0 109.016 168.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -145.45 -178.7 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 126.173 1.789 . . . . 0.0 108.894 -171.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.1 t -123.97 142.92 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 O-C-N 120.92 -1.113 . . . . 0.0 108.658 172.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.537 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.96 155.75 45.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 120.813 -1.18 . . . . 0.0 112.203 -170.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.6 tttt -85.17 120.8 27.07 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 172.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.4 t-105 -60.59 121.34 11.94 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 169.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 87.2 p -61.55 -17.55 55.4 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 118.807 2.892 . . . . 0.0 118.807 -165.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 22.1 m -76.57 48.83 0.57 Allowed 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.546 1.521 . . . . 0.0 112.509 175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.7 t30 40.94 48.79 2.86 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.905 2.482 . . . . 0.0 114.536 -171.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -96.79 -148.03 23.55 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.191 0.9 . . . . 0.0 114.72 -174.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.3 m-30 -105.38 -176.34 3.05 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.794 2.038 . . . . 0.0 109.182 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -105.76 117.8 34.95 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.803 1.241 . . . . 0.0 109.58 -172.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.422 ' HE1' HD12 ' B' ' 383' ' ' LEU . 72.9 m-85 -121.81 148.73 44.3 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.234 1.414 . . . . 0.0 109.964 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 79.5 p -78.69 147.1 33.62 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.339 -0.851 . . . . 0.0 112.214 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.41 -163.98 22.26 Favored Glycine 0 N--CA 1.47 0.958 0 O-C-N 121.668 -0.645 . . . . 0.0 113.742 -175.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 140.75 48.0 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 125.671 1.588 . . . . 0.0 109.683 173.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.14 128.44 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 170.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -103.65 -27.85 12.05 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.925 0.89 . . . . 0.0 112.491 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -168.42 152.58 5.96 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.478 1.511 . . . . 0.0 112.337 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -84.12 102.61 12.69 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.982 1.313 . . . . 0.0 108.907 168.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.1 t -59.38 -51.27 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.454 0.702 . . . . 0.0 110.422 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.34 162.07 10.9 Favored Glycine 0 C--N 1.337 0.622 0 C-N-CA 125.036 1.303 . . . . 0.0 111.466 170.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.33 4.39 0.21 Allowed 'General case' 0 CA--C 1.554 1.129 0 N-CA-C 116.706 2.113 . . . . 0.0 116.706 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.74 -13.94 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 126.182 1.848 . . . . 0.0 113.137 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.61 137.45 37.12 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-N 119.898 1.849 . . . . 0.0 109.281 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -124.0 139.09 54.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.379 1.472 . . . . 0.0 109.122 171.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -77.61 129.31 35.44 Favored 'General case' 0 N--CA 1.462 0.174 0 C-N-CA 125.125 1.37 . . . . 0.0 109.956 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.485 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.77 117.01 24.68 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.981 1.313 . . . . 0.0 111.974 -172.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 65.3 tp -84.7 99.41 10.81 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.461 1.504 . . . . 0.0 109.405 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -63.31 149.33 45.95 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.216 1.006 . . . . 0.0 111.452 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -64.3 -23.63 67.37 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 54.3 p30 -70.03 -16.33 63.15 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.938 1.295 . . . . 0.0 114.438 171.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 115.41 -3.94 21.78 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.859 2.171 . . . . 0.0 113.704 175.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -79.04 155.13 28.96 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.864 1.266 . . . . 0.0 111.689 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -135.05 135.03 40.98 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.697 0.799 . . . . 0.0 112.099 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.09 158.71 44.02 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.312 1.045 . . . . 0.0 110.878 171.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -77.01 140.54 40.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.861 -1.149 . . . . 0.0 108.677 168.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.4 t -137.99 134.54 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.854 0.862 . . . . 0.0 109.39 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.56 148.21 50.85 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.29 -0.881 . . . . 0.0 111.892 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.71 -39.25 54.48 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.185 0.898 . . . . 0.0 114.135 -174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.405 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.97 -33.15 68.57 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 121.404 -1.057 . . . . 0.0 112.067 177.583 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -91.79 17.15 9.43 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.337 2.255 . . . . 0.0 113.728 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -130.58 133.24 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.89 1.276 . . . . 0.0 107.775 176.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 45.7 mt -119.39 109.35 15.67 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 127.577 2.351 . . . . 0.0 109.2 -167.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.52 2.23 17.31 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 116.123 1.898 . . . . 0.0 116.123 -168.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 33.9 t -123.97 43.84 2.88 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 174.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 49.0 t0 -119.54 58.68 4.87 Favored Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 116.956 2.206 . . . . 0.0 116.956 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -67.67 124.11 11.56 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 N-CA-C 102.031 -3.873 . . . . 0.0 102.031 159.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.413 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 8.6 mm -57.14 115.84 11.74 Favored Pre-proline 0 N--CA 1.475 0.791 0 CA-C-N 119.452 1.024 . . . . 0.0 110.6 -164.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -63.66 130.14 27.1 Favored 'Trans proline' 0 N--CA 1.451 -1.026 0 C-N-CA 121.367 1.378 . . . . 0.0 110.732 -170.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.773 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -57.32 151.17 16.57 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.365 170.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 67.0 m-20 66.08 6.7 4.27 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 126.85 2.06 . . . . 0.0 114.74 -169.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.96 146.06 24.65 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 119.814 1.188 . . . . 0.0 110.863 169.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -84.68 136.14 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.274 1.03 . . . . 0.0 110.36 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.3 m -149.43 157.7 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.205 1.402 . . . . 0.0 112.015 -170.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.16 147.61 22.94 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 138.01 50.61 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.558 2.343 . . . . 0.0 109.656 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.4 mt -128.35 134.92 48.96 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.073 1.349 . . . . 0.0 112.359 -174.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.8 m -105.29 156.68 17.91 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.653 0.781 . . . . 0.0 110.933 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -63.71 -19.9 65.3 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.18 0.992 . . . . 0.0 113.418 176.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -86.55 12.91 9.39 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 125.228 1.411 . . . . 0.0 113.031 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 79.79 -4.97 1.91 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 129.608 3.163 . . . . 0.0 116.035 172.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -55.4 144.4 25.57 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.841 1.2 . . . . 0.0 112.227 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -139.84 121.69 15.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.029 0.932 . . . . 0.0 111.239 177.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.29 177.46 10.83 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.891 1.276 . . . . 0.0 112.465 173.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.94 157.01 30.83 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.922 1.453 . . . . 0.0 114.922 -176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -172.46 -158.69 17.3 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 126.798 2.142 . . . . 0.0 110.265 -169.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 53.8 t -134.62 134.45 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.541 -0.976 . . . . 0.0 111.729 -170.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 45.5 t -62.88 128.48 24.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.021 176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 60.6 mttm -137.08 20.95 3.01 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.744 1.217 . . . . 0.0 114.192 171.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.9 172.42 45.27 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 121.421 -0.799 . . . . 0.0 115.064 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.4 m80 -138.8 146.71 41.65 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 127.368 2.267 . . . . 0.0 111.498 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 32.1 ttt85 -142.47 153.15 43.41 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.003 1.321 . . . . 0.0 109.423 173.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -125.06 135.86 53.13 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.564 1.546 . . . . 0.0 108.808 170.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -137.89 102.05 4.61 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.033 0.933 . . . . 0.0 109.922 -173.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 46.5 m 58.03 -37.13 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 129.578 3.151 . . . . 0.0 117.88 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -177.42 20.62 0.04 OUTLIER Glycine 0 CA--C 1.54 1.619 0 C-N-CA 127.361 2.41 . . . . 0.0 113.261 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -142.76 166.63 24.11 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.272 1.536 . . . . 0.0 111.851 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.6 tp -119.39 139.59 51.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.866 1.267 . . . . 0.0 111.881 -168.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -127.2 157.54 39.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.948 2.099 . . . . 0.0 112.275 -175.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.413 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 92.0 m-85 -136.44 121.18 18.51 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 126.35 1.86 . . . . 0.0 109.285 -175.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.8 t -79.42 118.34 21.22 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 169.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.4 mm -103.67 129.31 55.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 176.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -85.83 101.67 13.02 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -122.09 124.81 44.81 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.869 1.268 . . . . 0.0 110.048 -172.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 53.88 24.54 4.6 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 124.041 0.936 . . . . 0.0 113.18 -172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.82 15.29 54.9 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 125.001 1.286 . . . . 0.0 115.143 -176.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -126.2 119.59 27.88 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.996 1.318 . . . . 0.0 110.102 -169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -80.65 105.85 12.21 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 119.146 0.884 . . . . 0.0 109.133 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -128.73 132.16 47.95 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.278 1.431 . . . . 0.0 111.055 -167.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.36 120.74 24.22 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.161 0.505 . . . . 0.0 111.372 -176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -120.41 157.73 28.68 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.203 1.401 . . . . 0.0 111.014 172.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 7.1 mmmt -75.43 159.13 31.72 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 125.854 1.662 . . . . 0.0 110.262 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -41.62 -60.69 1.26 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 124.54 1.136 . . . . 0.0 111.162 166.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -75.11 -17.57 60.41 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.37 -8.77 59.79 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -107.95 107.19 22.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 C-N-CA 125.199 1.399 . . . . 0.0 108.58 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 16.8 pt -117.53 139.23 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.248 1.019 . . . . 0.0 109.366 -169.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -98.46 119.15 36.67 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.441 1.097 . . . . 0.0 108.474 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.77 148.67 19.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.175 0.59 . . . . 0.0 110.36 171.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.55 -33.37 68.04 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 120.798 -1.189 . . . . 0.0 114.037 -170.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -74.94 -26.46 59.62 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 121.814 -0.554 . . . . 0.0 111.445 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -69.59 -54.9 11.8 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 169.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.17 -34.48 58.75 Favored Glycine 0 N--CA 1.476 1.306 0 C-N-CA 125.014 1.292 . . . . 0.0 113.864 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -52.95 -49.26 66.41 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.461 -1.023 . . . . 0.0 113.703 170.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 20.3 mtt85 -60.67 -15.89 33.38 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.508 1.123 . . . . 0.0 113.218 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.7 mp -98.79 -29.39 13.01 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.677 1.191 . . . . 0.0 112.316 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -53.01 -39.34 63.07 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-N 120.667 1.576 . . . . 0.0 112.331 179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -57.1 -34.67 68.57 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.19 -35.82 5.51 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.332 1.453 . . . . 0.0 111.25 -170.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.8 m-30 -107.13 -11.74 15.56 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.497 1.519 . . . . 0.0 113.987 -172.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.61 140.28 37.67 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.658 1.123 . . . . 0.0 112.611 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.515 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -68.8 -36.41 78.21 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.317 1.059 . . . . 0.0 111.538 172.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.303 0 C-N-CA 126.067 1.794 . . . . 0.0 113.456 -169.909 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.5 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 111.703 0.26 . . . . 0.0 111.703 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.8 t -146.66 179.56 7.48 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.579 1.152 . . . . 0.0 112.415 177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 49.7 m -136.06 14.58 3.31 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.024 1.73 . . . . 0.0 113.554 -172.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -125.3 158.99 32.79 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 125.453 1.501 . . . . 0.0 114.191 -171.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.533 ' HB3' HD11 ' B' ' 383' ' ' LEU . 21.7 t60 -73.4 172.38 11.36 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.259 1.824 . . . . 0.0 114.659 -177.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . 0.42 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 22.5 ttmm -10.13 -67.31 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.845 1 C-N-CA 132.093 4.157 . . . . 0.0 117.44 178.769 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -171.569 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.88 HD13 ' H ' ' B' ' 383' ' ' LEU 0.253 0.0 OUTLIER -74.91 11.44 1.09 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.771 1.628 . . . . 0.0 114.837 -174.027 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.16 50.8 1.09 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.916 1.286 . . . . 0.0 107.927 165.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -71.48 170.94 12.25 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.625 1.57 . . . . 0.0 111.952 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -52.7 -37.61 59.31 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -170.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 49.8 m . . . . . 0 C--O 1.248 1.012 0 C-N-CA 124.977 1.311 . . . . 0.0 110.317 169.733 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 112.345 -0.302 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.36 169.51 20.67 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.408 1.483 . . . . 0.0 111.825 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 93.6 mtp -63.56 166.04 7.29 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.123 1.369 . . . . 0.0 112.958 173.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.3 t30 -140.33 169.13 18.24 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.22 1.408 . . . . 0.0 111.276 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.49 64.42 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 129.346 3.058 . . . . 0.0 115.787 -174.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.0 m-85 67.14 -53.13 0.47 Allowed 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 127.201 2.2 . . . . 0.0 111.886 -170.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 13.4 t -61.28 104.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 127.916 2.486 . . . . 0.0 111.091 -176.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 123.33 -23.81 6.72 Favored Glycine 0 CA--C 1.542 1.765 0 C-N-CA 126.338 1.923 . . . . 0.0 114.211 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 49.7 mt -72.09 135.14 46.17 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.502 1.521 . . . . 0.0 113.549 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -77.76 128.04 33.38 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.767 1.227 . . . . 0.0 109.481 168.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.9 m -150.43 179.45 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 125.778 1.631 . . . . 0.0 109.447 -170.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -121.57 140.4 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 O-C-N 120.581 -1.324 . . . . 0.0 108.651 171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.575 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -141.93 158.89 43.25 Favored 'General case' 0 C--N 1.332 -0.188 0 O-C-N 121.02 -1.05 . . . . 0.0 112.592 -169.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.2 tttt -84.64 132.1 34.52 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 122.064 -0.397 . . . . 0.0 110.636 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 13.0 t-105 -83.18 137.59 33.99 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 121.311 0.576 . . . . 0.0 109.767 167.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 85.5 p -65.46 -177.78 0.45 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 125.419 1.488 . . . . 0.0 114.782 -172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.0 m 52.82 39.89 29.68 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.829 -1.169 . . . . 0.0 112.593 -169.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.2 t30 49.97 54.88 10.3 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 127.309 2.244 . . . . 0.0 115.468 -177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.0 -153.82 14.51 Favored Glycine 0 CA--C 1.542 1.741 0 CA-C-O 121.9 0.722 . . . . 0.0 114.424 171.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -104.58 -176.46 3.09 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.535 1.934 . . . . 0.0 109.66 176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -106.34 121.73 44.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.449 1.1 . . . . 0.0 109.845 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.6 m-85 -123.08 145.69 48.34 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.661 1.585 . . . . 0.0 109.771 -169.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.6 p -75.59 151.03 37.92 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.278 -1.514 . . . . 0.0 111.713 -177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -174.7 -171.31 38.75 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 121.633 -0.667 . . . . 0.0 113.926 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.91 137.27 53.12 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -69.15 120.54 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 171.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.5 p -100.09 -26.41 13.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.882 0.873 . . . . 0.0 113.125 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.5 136.49 1.3 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.547 1.539 . . . . 0.0 112.771 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.8 t0 -64.5 103.07 0.62 Allowed 'General case' 0 N--CA 1.472 0.641 0 O-C-N 120.758 -1.214 . . . . 0.0 110.366 166.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -58.38 -52.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 C-N-CA 124.002 0.921 . . . . 0.0 109.231 -177.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.83 163.91 12.26 Favored Glycine 0 C--N 1.337 0.597 0 C-N-CA 124.965 1.269 . . . . 0.0 111.214 169.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.81 4.16 0.15 Allowed 'General case' 0 CA--C 1.555 1.149 0 N-CA-C 116.842 2.164 . . . . 0.0 116.842 173.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 124.61 -15.31 7.57 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 126.222 1.868 . . . . 0.0 113.153 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.79 136.75 36.8 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 120.229 2.014 . . . . 0.0 109.105 173.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . 0.408 ' CE1' HD12 ' A' 1602 ' ' LEU . 29.9 m-85 -124.29 136.91 54.48 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.568 1.547 . . . . 0.0 110.047 172.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -72.24 124.64 25.48 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.491 2.316 . . . . 0.0 109.798 175.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.4 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -123.16 113.27 18.73 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.622 1.169 . . . . 0.0 112.635 -174.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 54.5 tp -84.23 102.18 12.44 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 125.392 1.477 . . . . 0.0 109.302 168.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -67.71 148.56 51.14 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.449 1.1 . . . . 0.0 111.666 174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.19 -32.35 72.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.147 -0.97 . . . . 0.0 113.276 -177.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.37 -10.35 11.02 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.739 2.016 . . . . 0.0 113.497 171.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.69 -3.91 39.45 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 126.013 1.768 . . . . 0.0 114.568 168.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -79.36 157.74 27.57 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.479 1.512 . . . . 0.0 111.682 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -134.14 137.84 44.8 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 121.193 -0.942 . . . . 0.0 111.819 171.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -150.34 159.61 44.33 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.949 0.899 . . . . 0.0 111.728 170.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -77.24 140.1 40.01 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 120.737 -1.227 . . . . 0.0 108.638 167.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -137.62 133.88 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.584 1.154 . . . . 0.0 109.016 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.8 146.13 53.16 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.218 -0.926 . . . . 0.0 111.727 175.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.76 -37.73 52.23 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.116 0.865 . . . . 0.0 114.356 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.82 -29.22 62.56 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.594 -0.945 . . . . 0.0 112.808 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -96.36 21.55 8.94 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.718 2.007 . . . . 0.0 114.181 -175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.575 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.3 OUTLIER -132.51 111.62 17.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.638 1.175 . . . . 0.0 109.237 179.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 3.1 mp -95.32 107.28 19.39 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 129.317 3.047 . . . . 0.0 107.393 -174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.678 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -103.9 -5.08 22.65 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -168.288 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.3 p -129.07 49.88 2.19 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.557 1.143 . . . . 0.0 108.111 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 54.6 t0 -117.08 62.9 3.12 Favored Pre-proline 0 CA--C 1.546 0.809 0 N-CA-C 115.829 1.789 . . . . 0.0 115.829 -167.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -67.75 118.39 5.57 Favored 'Trans proline' 0 CA--C 1.543 0.969 0 N-CA-C 102.399 -3.731 . . . . 0.0 102.399 160.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.2 mm -57.55 117.08 16.33 Favored Pre-proline 0 CA--C 1.543 0.674 0 CA-C-N 118.705 0.684 . . . . 0.0 110.574 -164.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.48 130.98 26.55 Favored 'Trans proline' 0 N--CA 1.45 -1.073 0 C-N-CA 121.842 1.695 . . . . 0.0 110.965 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.763 ' H ' HD12 ' A' 1540 ' ' LEU . 2.1 mp -58.34 152.63 17.17 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.627 173.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 37.0 m-20 67.79 -0.52 1.96 Allowed 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 114.674 -168.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.29 146.55 29.38 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.715 1.598 . . . . 0.0 111.465 169.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -80.44 138.5 36.62 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.341 1.056 . . . . 0.0 109.845 175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -149.06 157.23 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.916 1.287 . . . . 0.0 112.213 -173.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 16.3 m -89.97 142.35 27.79 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.448 1.099 . . . . 0.0 108.489 168.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.29 139.55 53.61 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.434 1.893 . . . . 0.0 110.379 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -116.14 130.42 56.79 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.283 1.833 . . . . 0.0 111.373 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.9 m -104.67 157.88 16.89 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 122.23 1.015 . . . . 0.0 112.553 -169.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -60.93 -22.06 64.02 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.12 1.768 . . . . 0.0 113.385 179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 24.6 t0 -102.83 21.21 15.94 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.808 1.643 . . . . 0.0 112.73 174.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 88.29 -14.72 0.38 Allowed 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.814 3.646 . . . . 0.0 116.904 168.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -56.91 143.03 39.2 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.442 1.019 . . . . 0.0 112.837 -173.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 124.2 44.14 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.757 1.223 . . . . 0.0 108.68 172.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 87.7 p -151.94 178.14 9.72 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.969 1.308 . . . . 0.0 111.679 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -134.44 157.62 45.98 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.784 1.629 . . . . 0.0 114.115 176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.63 -159.08 17.04 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.931 2.205 . . . . 0.0 110.812 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.0 t -134.6 135.64 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 O-C-N 121.167 -1.196 . . . . 0.0 111.493 -173.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.01 128.82 27.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 C-N-CA 120.547 -0.461 . . . . 0.0 111.097 176.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 92.8 mttt -135.77 18.47 3.29 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 125.289 1.436 . . . . 0.0 114.099 171.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -177.06 175.73 47.78 Favored Glycine 0 CA--C 1.534 1.272 0 O-C-N 121.054 -1.029 . . . . 0.0 115.334 172.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.7 m80 -137.81 147.66 44.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.515 2.326 . . . . 0.0 111.659 -178.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -144.2 156.79 44.46 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.95 1.3 . . . . 0.0 110.066 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -127.14 111.72 14.32 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.494 1.517 . . . . 0.0 108.653 174.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -141.75 141.34 33.23 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.92 1.288 . . . . 0.0 110.088 -170.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 69.4 m 50.4 26.38 2.29 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -173.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.62 27.37 71.19 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.439 1.019 . . . . 0.0 114.592 -175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -144.38 170.4 16.08 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.317 1.558 . . . . 0.0 111.596 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 15.2 tp -93.72 136.99 33.44 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.347 1.07 . . . . 0.0 113.587 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -126.64 159.22 34.24 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 127.568 2.347 . . . . 0.0 111.873 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.1 m-85 -136.68 129.51 30.74 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.633 1.573 . . . . 0.0 109.473 -177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.7 t -82.02 115.21 21.06 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.349 -1.722 . . . . 0.0 106.349 169.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.5 mm -102.59 131.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 175.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.21 107.01 17.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 169.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -127.97 120.12 26.92 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 125.211 1.404 . . . . 0.0 108.676 -168.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 53.11 29.67 8.53 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.705 1.202 . . . . 0.0 112.694 -168.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 87.51 13.43 65.38 Favored Glycine 0 CA--C 1.538 1.516 0 C-N-CA 124.558 1.075 . . . . 0.0 115.084 -178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -120.75 120.25 35.1 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.164 1.385 . . . . 0.0 109.99 -171.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -78.86 104.73 9.69 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 119.56 1.073 . . . . 0.0 108.128 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -124.94 134.46 52.64 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.53 1.932 . . . . 0.0 109.802 -167.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -78.88 125.35 29.26 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.585 0.707 . . . . 0.0 111.647 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -125.86 154.13 43.14 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.822 1.249 . . . . 0.0 110.547 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -76.98 158.12 30.82 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-O 118.157 -0.925 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 18.2 ttp-105 -37.33 -61.49 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.269 1.428 . . . . 0.0 111.923 166.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 18.8 ptm -73.51 -15.95 61.3 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.26 39.8 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 119.275 -0.393 . . . . 0.0 111.196 173.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.5 t -100.45 92.79 2.64 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 126.271 1.829 . . . . 0.0 109.342 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.0 pt -105.19 156.83 6.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.942 1.297 . . . . 0.0 109.655 -176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.3 mt -118.69 131.51 56.15 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.053 -1.029 . . . . 0.0 109.02 -171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.41 159.99 9.4 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 121.66 -0.65 . . . . 0.0 109.713 167.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.26 -36.23 65.87 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.09 -36.0 61.75 Favored 'General case' 0 N--CA 1.469 0.525 0 O-C-N 121.334 -0.854 . . . . 0.0 111.24 -179.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -69.29 -44.85 70.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.075 0.95 . . . . 0.0 110.6 175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -75.47 -23.05 74.35 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.873 1.225 . . . . 0.0 114.27 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -57.5 -39.87 77.4 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.187 1.993 . . . . 0.0 111.895 173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -52.54 -31.2 34.55 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 123.966 0.906 . . . . 0.0 112.845 173.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.0 -31.25 14.33 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.586 1.554 . . . . 0.0 111.818 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 19.2 ttp85 -60.28 -36.2 77.3 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.075 1.35 . . . . 0.0 112.219 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -55.47 -32.31 62.71 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 115.562 1.69 . . . . 0.0 115.562 174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -111.42 -32.34 6.74 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 124.73 1.212 . . . . 0.0 110.89 -170.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -101.52 -16.72 16.7 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.13 140.43 31.79 Favored Glycine 0 CA--C 1.542 1.735 0 C-N-CA 125.012 1.291 . . . . 0.0 113.303 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.678 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -67.2 -35.91 80.61 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.36 1.08 . . . . 0.0 111.631 172.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.442 0 C-N-CA 125.484 1.516 . . . . 0.0 113.695 -169.654 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.8 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -53.25 -25.87 15.92 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -171.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 12.6 m -64.93 -9.47 21.56 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -129.3 158.04 40.18 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 125.895 1.678 . . . . 0.0 112.175 -178.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.547 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 29.6 t-80 -78.88 -170.46 2.18 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.484 1.513 . . . . 0.0 112.779 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . 0.547 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 67.0 mttm -52.85 -42.71 65.47 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.005 1.722 . . . . 0.0 114.072 -176.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.527 0 C-N-CA 124.993 1.317 . . . . 0.0 114.487 177.349 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.71 94.32 3.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.946 0.794 . . . . 0.0 110.349 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.6 tpt -171.32 142.24 1.68 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 126.465 1.906 . . . . 0.0 110.085 167.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -163.42 158.41 21.06 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.853 1.661 . . . . 0.0 111.448 -168.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -68.61 156.96 37.11 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.066 0.546 . . . . 0.0 112.242 170.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.3 p . . . . . 0 C--O 1.257 1.474 0 C-N-CA 124.981 1.313 . . . . 0.0 113.08 169.257 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 N-CA-C 112.561 -0.216 . . . . 0.0 112.561 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -149.57 164.56 34.76 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.284 1.434 . . . . 0.0 111.714 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 88.4 mtp -143.34 167.68 21.6 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.813 1.645 . . . . 0.0 112.572 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 66.2 t30 -144.76 167.05 23.5 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.868 1.667 . . . . 0.0 109.872 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.9 p -46.24 -60.99 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.878 1.671 . . . . 0.0 114.986 -170.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -156.76 -54.69 0.08 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 127.045 2.138 . . . . 0.0 107.279 -174.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.0 t -47.92 99.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 128.496 2.718 . . . . 0.0 111.99 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 125.74 -21.76 6.23 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 125.693 1.616 . . . . 0.0 113.561 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.8 mp -74.83 139.59 43.34 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.805 1.242 . . . . 0.0 112.19 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -78.3 128.82 34.25 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.488 1.115 . . . . 0.0 109.386 167.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.5 m -149.0 176.95 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 126.496 1.918 . . . . 0.0 108.994 -171.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -119.93 132.38 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 O-C-N 120.537 -1.352 . . . . 0.0 108.77 172.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.609 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.65 159.01 38.49 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.061 0.944 . . . . 0.0 111.692 -171.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 86.4 tttt -84.38 133.51 34.51 Favored 'General case' 0 CA--C 1.515 -0.391 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 171.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.4 t-105 -71.78 91.86 1.17 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 166.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 46.7 p -55.54 -26.49 43.52 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.917 2.087 . . . . 0.0 115.852 -167.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 62.7 m -61.86 -49.58 75.68 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -176.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -166.46 15.59 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -171.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -141.71 -142.88 4.15 Favored Glycine 0 N--CA 1.48 1.584 0 N-CA-C 119.673 2.629 . . . . 0.0 119.673 -166.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -105.28 -168.85 1.52 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.715 2.406 . . . . 0.0 111.388 -166.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -109.34 123.7 49.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.831 1.252 . . . . 0.0 110.33 -171.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -128.03 146.84 50.54 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.03 1.332 . . . . 0.0 110.105 -170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.4 p -70.73 149.1 47.27 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.35 -0.844 . . . . 0.0 111.506 176.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.22 -172.74 39.03 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 123.874 0.75 . . . . 0.0 113.052 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.9 137.29 52.25 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.405 1.082 . . . . 0.0 109.553 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.23 122.29 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 107.539 -1.282 . . . . 0.0 107.539 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.5 -27.24 13.53 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.515 0.726 . . . . 0.0 112.944 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.17 136.79 0.86 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.612 1.565 . . . . 0.0 113.271 177.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -64.38 103.67 0.68 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.858 -1.151 . . . . 0.0 110.447 167.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.0 t -59.82 -52.43 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.925 0.89 . . . . 0.0 109.516 -177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.88 161.37 10.49 Favored Glycine 0 C--N 1.338 0.66 0 C-N-CA 125.094 1.331 . . . . 0.0 111.026 171.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.13 4.86 0.21 Allowed 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 171.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.39 -14.45 8.22 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.147 1.832 . . . . 0.0 113.319 -174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.93 136.76 36.72 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 119.927 1.864 . . . . 0.0 109.431 173.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.28 137.32 54.88 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.43 1.492 . . . . 0.0 109.652 172.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -72.32 124.37 24.95 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.175 2.19 . . . . 0.0 109.299 173.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.47 115.78 22.81 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.377 1.071 . . . . 0.0 112.444 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 42.8 tp -83.94 100.12 10.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.366 1.467 . . . . 0.0 109.559 169.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -68.62 150.68 47.7 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 124.646 1.178 . . . . 0.0 112.242 173.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -66.56 -21.35 66.15 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 35.1 p-10 -70.34 -6.05 32.48 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 169.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.64 -6.05 35.47 Favored Glycine 0 CA--C 1.534 1.244 0 C-N-CA 126.552 2.025 . . . . 0.0 113.991 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -82.37 155.11 24.9 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.956 1.302 . . . . 0.0 112.658 -172.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -138.96 124.58 19.53 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 110.93 176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 56.6 m -145.78 170.08 17.25 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.552 1.541 . . . . 0.0 110.284 171.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -84.23 135.22 34.44 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.196 1.398 . . . . 0.0 109.903 174.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.6 t -134.41 134.0 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.047 1.339 . . . . 0.0 108.898 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 mt -69.05 148.02 50.66 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 120.843 -1.161 . . . . 0.0 111.868 176.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.78 -38.03 44.35 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.317 0.961 . . . . 0.0 114.109 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 -33.74 69.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 117.629 0.715 . . . . 0.0 112.177 177.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -91.02 17.34 8.09 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 127.214 2.206 . . . . 0.0 113.735 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.609 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.96 136.59 56.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.873 1.269 . . . . 0.0 108.432 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 35.5 mt -123.91 109.38 13.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 127.082 2.153 . . . . 0.0 109.869 -165.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.517 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.1 3.28 20.1 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 -168.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.4 m -125.78 34.93 4.8 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.077 1.351 . . . . 0.0 109.708 174.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.5 t0 -111.59 58.4 0.45 Allowed Pre-proline 0 CA--C 1.551 0.993 0 N-CA-C 117.417 2.377 . . . . 0.0 117.417 -167.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -66.15 124.38 12.51 Favored 'Trans proline' 0 CA--C 1.542 0.896 0 N-CA-C 102.77 -3.588 . . . . 0.0 102.77 161.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.457 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.7 mm -57.56 115.61 11.39 Favored Pre-proline 0 N--CA 1.474 0.752 0 O-C-N 121.801 -0.562 . . . . 0.0 111.31 -163.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -64.77 134.06 39.01 Favored 'Trans proline' 0 N--CA 1.448 -1.165 0 C-N-CA 121.609 1.539 . . . . 0.0 110.898 -173.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.688 ' H ' HD12 ' A' 1540 ' ' LEU . 3.5 mp -56.6 154.41 8.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.081 169.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.23 1.78 1.32 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.68 1.592 . . . . 0.0 115.213 -169.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.1 149.08 25.8 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 120.419 1.463 . . . . 0.0 111.024 169.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.8 140.44 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.914 0.886 . . . . 0.0 110.285 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.8 m -151.27 155.33 7.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.356 1.062 . . . . 0.0 112.541 -172.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.3 m -90.73 144.7 25.46 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 167.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.42 142.64 51.14 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 127.241 2.217 . . . . 0.0 109.569 -174.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mt -126.69 130.79 51.07 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 125.049 1.34 . . . . 0.0 111.015 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 30.2 m -104.46 159.53 15.66 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 122.279 1.037 . . . . 0.0 113.038 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -61.12 -22.99 65.18 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.813 1.645 . . . . 0.0 113.27 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -100.21 18.59 18.35 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 126.43 1.892 . . . . 0.0 112.967 173.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 76.82 0.34 3.1 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 129.125 2.97 . . . . 0.0 116.969 170.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -58.12 150.48 21.12 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.006 -1.059 . . . . 0.0 112.065 172.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -138.57 122.86 18.21 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.463 0.705 . . . . 0.0 111.144 171.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.5 p -153.16 176.79 11.54 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.734 1.214 . . . . 0.0 112.122 176.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.07 155.67 33.91 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 -172.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.76 -159.07 15.86 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 126.48 1.99 . . . . 0.0 110.83 -170.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.5 t -136.27 137.09 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 121.332 -1.099 . . . . 0.0 111.454 -169.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.4 t -65.52 130.56 30.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.171 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -133.9 7.78 3.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.486 1.914 . . . . 0.0 114.449 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.21 174.68 46.03 Favored Glycine 0 N--CA 1.475 1.289 0 O-C-N 121.264 -0.898 . . . . 0.0 115.207 175.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.2 m80 -136.83 150.38 48.28 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.969 2.108 . . . . 0.0 111.625 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -146.52 148.75 32.51 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 125.428 1.491 . . . . 0.0 109.889 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -125.58 135.38 52.16 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.559 1.543 . . . . 0.0 109.186 172.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -140.59 100.65 3.91 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.766 0.827 . . . . 0.0 110.512 -169.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 28.35 0.39 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.301 1.963 . . . . 0.0 116.301 174.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 112.52 15.01 9.88 Favored Glycine 0 CA--C 1.539 1.535 0 N-CA-C 116.344 1.298 . . . . 0.0 116.344 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -138.06 159.86 40.9 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 120.088 1.944 . . . . 0.0 110.862 175.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.1 tp -118.24 138.77 52.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 124.612 1.165 . . . . 0.0 112.162 -168.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -129.94 156.2 44.81 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 126.216 1.806 . . . . 0.0 112.257 -173.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.4 m-85 -132.59 124.3 28.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 126.504 1.921 . . . . 0.0 108.12 -178.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.8 t -79.31 115.6 19.06 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.0 mm -101.8 130.81 50.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -86.18 102.1 13.61 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 168.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -122.94 127.4 48.85 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.848 1.259 . . . . 0.0 110.049 -173.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 53.83 24.23 4.34 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 124.22 1.008 . . . . 0.0 113.133 -172.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.27 16.63 52.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.889 1.233 . . . . 0.0 115.437 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -128.63 124.97 37.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.854 1.262 . . . . 0.0 110.978 -169.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -78.95 109.62 13.41 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.355 0.98 . . . . 0.0 109.369 176.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -129.99 132.84 46.43 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.456 1.502 . . . . 0.0 109.783 -169.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.2 m95 -78.33 124.96 28.69 Favored 'General case' 0 N--CA 1.468 0.459 0 O-C-N 121.592 -0.692 . . . . 0.0 111.975 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -126.36 155.51 41.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.531 1.132 . . . . 0.0 111.094 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 87.8 mttt -78.28 158.01 29.04 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.593 1.157 . . . . 0.0 110.448 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 27.7 ttm-85 -41.38 -57.98 2.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 124.389 1.075 . . . . 0.0 111.812 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 16.6 ptm -73.01 -16.8 61.5 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -90.32 -7.02 54.38 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.605 0.762 . . . . 0.0 111.801 174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.4 t -105.12 91.81 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.341 0.219 0 C-N-CA 125.406 1.482 . . . . 0.0 107.91 173.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -99.41 137.52 26.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.746 1.219 . . . . 0.0 108.75 -174.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.5 mt -97.67 128.18 44.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.319 1.048 . . . . 0.0 108.582 -170.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.19 155.15 11.8 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.144 0.884 . . . . 0.0 110.345 170.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.56 -33.33 66.03 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.301 -0.874 . . . . 0.0 113.094 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -72.16 -24.48 61.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.483 -0.761 . . . . 0.0 111.218 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -84.8 -41.75 15.81 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.243 1.417 . . . . 0.0 110.498 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.47 -36.76 47.74 Favored Glycine 0 N--CA 1.474 1.167 0 C-N-CA 125.138 1.352 . . . . 0.0 112.791 169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -61.83 -45.17 94.97 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.109 -1.23 . . . . 0.0 112.884 176.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 7.8 mpt_? -54.17 -11.59 0.5 Allowed 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 125.149 1.38 . . . . 0.0 114.238 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.2 mt -116.46 -26.93 6.92 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 125.5 1.52 . . . . 0.0 110.614 -170.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 35.3 mtm105 -54.93 -38.42 67.65 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-N 119.72 1.145 . . . . 0.0 112.214 174.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -55.33 -37.41 67.37 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.76 1.624 . . . . 0.0 114.517 -175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.97 -34.7 5.66 Favored 'General case' 0 N--CA 1.433 -1.291 0 C-N-CA 124.979 1.311 . . . . 0.0 111.716 -176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.6 m-30 -103.88 -10.65 18.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -169.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.78 136.86 36.72 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.957 1.265 . . . . 0.0 112.999 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.517 HD22 HD23 ' A' 1534 ' ' LEU . 2.6 mt -68.82 -36.35 78.1 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.867 1.334 . . . . 0.0 111.507 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.286 0 C-N-CA 126.158 1.837 . . . . 0.0 114.664 -168.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.7 m . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 11.7 p -142.76 165.0 28.57 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.67 1.588 . . . . 0.0 111.952 176.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 68.3 m -52.67 138.0 29.68 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.088 1.355 . . . . 0.0 111.562 168.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.01 156.38 29.23 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 170.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -61.07 167.4 3.0 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.676 1.99 . . . . 0.0 113.08 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -61.34 -23.92 66.09 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.814 1.413 . . . . 0.0 114.814 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 174.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.479 HD13 ' C ' ' B' ' 383' ' ' LEU . 3.0 tm? -58.78 124.76 20.87 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 119.926 1.239 . . . . 0.0 112.291 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 37.4 tpp -159.68 165.97 31.54 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.728 2.011 . . . . 0.0 109.736 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . 0.427 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 60.8 m-85 -130.25 146.13 51.82 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -167.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 44.4 tttp -139.54 19.7 2.54 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.689 2.396 . . . . 0.0 110.424 168.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.252 1.187 0 C-N-CA 130.183 3.393 . . . . 0.0 113.305 -169.189 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.048 0 N-CA-C 112.247 -0.341 . . . . 0.0 112.247 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -69.55 -39.73 77.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.22 1.008 . . . . 0.0 113.323 -178.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 97.9 mmm -74.07 155.39 38.56 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.058 0.943 . . . . 0.0 112.518 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 52.7 t30 -150.49 130.04 13.05 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 125.29 1.436 . . . . 0.0 110.154 175.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 77.8 p 12.73 -83.77 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 129.256 3.022 . . . . 0.0 115.903 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -143.78 -43.95 0.27 Allowed 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 128.765 2.826 . . . . 0.0 108.376 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -65.99 108.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 125.121 1.369 . . . . 0.0 111.251 -173.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.93 -22.19 7.7 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 126.32 1.914 . . . . 0.0 113.771 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 41.5 mt -73.95 133.58 43.06 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.452 1.501 . . . . 0.0 113.717 -176.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.8 126.69 31.41 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.533 1.133 . . . . 0.0 109.551 168.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.5 m -148.52 -179.18 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.367 1.867 . . . . 0.0 109.249 -171.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -123.54 133.38 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 O-C-N 120.586 -1.322 . . . . 0.0 109.552 172.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.572 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.49 159.17 42.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 121.003 -1.061 . . . . 0.0 113.022 -169.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.3 tttt -84.34 122.46 28.96 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 122.446 0.298 . . . . 0.0 110.437 174.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.1 t-105 -66.78 128.08 34.93 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 121.231 0.538 . . . . 0.0 110.006 169.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.1 p -65.01 -14.3 60.04 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -165.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.2 m -75.24 47.94 0.39 Allowed 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 121.302 1.865 . . . . 0.0 112.625 173.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.7 t30 40.43 47.04 2.17 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.874 2.47 . . . . 0.0 113.526 -169.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.59 -150.23 25.71 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.023 0.82 . . . . 0.0 114.562 -170.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -105.43 -176.14 2.99 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.858 1.663 . . . . 0.0 109.924 -175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -107.47 114.53 28.6 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.049 0.94 . . . . 0.0 109.559 -169.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -118.2 148.42 42.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.37 1.468 . . . . 0.0 109.749 -172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -72.71 149.77 43.49 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.191 -0.943 . . . . 0.0 111.42 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.8 -172.67 38.68 Favored Glycine 0 CA--C 1.527 0.803 0 O-C-N 121.931 -0.481 . . . . 0.0 113.269 -177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.69 134.91 50.58 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.467 1.107 . . . . 0.0 109.456 178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.81 120.33 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 171.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -100.38 -24.72 14.44 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.2 1.0 . . . . 0.0 113.399 -175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.25 137.73 0.91 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.781 1.633 . . . . 0.0 113.181 175.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.81 103.77 0.75 Allowed 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.809 -1.182 . . . . 0.0 110.257 166.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -59.67 -52.8 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 123.977 0.911 . . . . 0.0 109.983 -177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.01 161.94 10.5 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 125.318 1.437 . . . . 0.0 111.296 175.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.58 5.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 117.01 2.226 . . . . 0.0 117.01 174.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 119.95 -13.8 10.53 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 126.201 1.858 . . . . 0.0 113.027 -174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.39 136.94 37.11 Favored 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.996 1.898 . . . . 0.0 108.955 174.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -123.32 137.19 54.9 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.639 1.576 . . . . 0.0 109.8 172.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -73.27 124.27 25.35 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.753 2.021 . . . . 0.0 109.182 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.428 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -122.42 114.53 20.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.988 1.315 . . . . 0.0 112.368 -175.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.8 tp -84.25 101.89 12.24 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 125.069 1.348 . . . . 0.0 109.415 168.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -66.11 146.73 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.006 0.923 . . . . 0.0 111.475 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.6 -20.63 63.55 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 172.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.8 t0 -62.82 -17.44 61.3 Favored 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 124.805 1.242 . . . . 0.0 112.334 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.44 2.39 44.04 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.473 1.987 . . . . 0.0 114.198 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 -94.32 157.11 16.19 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 126.326 1.85 . . . . 0.0 111.803 -175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -130.7 133.57 46.18 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.936 0.895 . . . . 0.0 111.208 171.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.47 156.98 44.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.046 0.939 . . . . 0.0 111.331 171.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -76.06 140.42 41.89 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 121.099 -1.001 . . . . 0.0 108.608 168.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.8 t -137.39 131.51 44.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.486 1.114 . . . . 0.0 108.787 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.77 142.05 58.11 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.252 -0.905 . . . . 0.0 111.191 174.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.04 -33.53 57.44 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 114.688 0.635 . . . . 0.0 114.688 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.592 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -50.91 -43.55 59.86 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 121.505 -0.997 . . . . 0.0 111.076 173.767 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -84.44 25.06 0.91 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.777 2.031 . . . . 0.0 115.267 -175.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.572 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.4 OUTLIER -134.87 121.58 34.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 O-C-N 120.894 -1.129 . . . . 0.0 108.541 179.356 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.4 mt -108.44 109.09 20.29 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 128.408 2.683 . . . . 0.0 108.344 -168.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -110.01 1.25 18.88 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 116.459 2.022 . . . . 0.0 116.459 -168.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.1 t -125.06 45.96 2.45 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.8 t0 -118.35 63.15 5.07 Favored Pre-proline 0 CA--C 1.547 0.839 0 N-CA-C 117.452 2.39 . . . . 0.0 117.452 -165.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.1 123.19 9.75 Favored 'Trans proline' 0 CA--C 1.545 1.043 0 N-CA-C 102.844 -3.56 . . . . 0.0 102.844 159.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.458 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.3 mm -58.06 117.3 18.67 Favored Pre-proline 0 N--CA 1.474 0.755 0 O-C-N 121.324 -0.86 . . . . 0.0 111.053 -165.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.25 132.37 31.4 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.741 1.627 . . . . 0.0 111.172 -174.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.702 ' H ' HD12 ' A' 1540 ' ' LEU . 2.7 mp -56.76 153.79 10.14 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 114.001 -1.454 . . . . 0.0 109.796 169.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 65.85 1.36 1.81 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.064 1.745 . . . . 0.0 115.233 -169.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.93 144.73 28.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.647 1.567 . . . . 0.0 111.298 169.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -77.32 137.04 38.54 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.503 0.721 . . . . 0.0 110.729 175.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.14 153.93 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 124.963 1.305 . . . . 0.0 112.339 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.36 149.47 21.72 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.796 0.839 . . . . 0.0 108.953 167.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.33 135.09 47.7 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.287 2.235 . . . . 0.0 109.651 -172.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.19 133.54 55.81 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.977 1.711 . . . . 0.0 110.78 -178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 31.1 m -105.08 152.62 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.314 1.046 . . . . 0.0 110.405 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.27 -22.78 67.07 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.386 -0.822 . . . . 0.0 112.958 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -78.67 3.04 17.52 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 124.929 1.292 . . . . 0.0 113.691 169.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 96.5 -14.78 0.08 Allowed 'General case' 0 N--CA 1.479 0.998 1 C-N-CA 131.928 4.091 . . . . 0.0 115.333 169.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.6 m-85 -57.51 144.78 35.62 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.041 1.291 . . . . 0.0 113.231 -173.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.88 117.37 16.72 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.16 0.984 . . . . 0.0 111.456 177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 5.7 p -152.02 176.59 11.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.59 1.156 . . . . 0.0 112.061 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -125.11 155.74 39.39 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.42 -156.14 11.52 Favored Glycine 0 CA--C 1.526 0.742 0 C-N-CA 126.56 2.028 . . . . 0.0 110.471 -169.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.7 t -137.72 137.08 45.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 121.485 -1.009 . . . . 0.0 111.209 -171.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.2 t -65.08 130.65 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.256 177.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -134.44 8.49 3.65 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.186 1.794 . . . . 0.0 114.598 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.7 175.38 45.77 Favored Glycine 0 N--CA 1.474 1.167 0 CA-C-N 119.176 0.898 . . . . 0.0 114.713 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -138.48 146.62 42.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 127.286 2.234 . . . . 0.0 112.037 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -140.74 157.76 44.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.643 1.577 . . . . 0.0 109.365 174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -126.91 132.89 50.79 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.45 1.5 . . . . 0.0 109.511 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -133.03 100.76 4.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.955 0.902 . . . . 0.0 110.754 -173.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.9 m 45.39 34.57 1.58 Allowed 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 174.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.93 16.77 14.37 Favored Glycine 0 CA--C 1.539 1.579 0 C-N-CA 124.45 1.024 . . . . 0.0 115.549 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -135.86 156.44 48.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.832 1.653 . . . . 0.0 109.503 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.8 tp -109.7 145.32 36.74 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.793 1.637 . . . . 0.0 110.814 -175.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -135.18 157.51 46.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.646 1.978 . . . . 0.0 111.163 -175.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.458 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.7 m-85 -136.4 123.86 22.12 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.635 1.574 . . . . 0.0 109.025 -175.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.4 t -79.8 117.37 20.62 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 106.463 -1.681 . . . . 0.0 106.463 168.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.6 mm -102.51 129.71 53.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.571 1.149 . . . . 0.0 108.158 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -85.73 99.38 11.29 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 169.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -119.52 126.59 51.63 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.804 1.241 . . . . 0.0 109.872 -173.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 53.81 24.36 4.4 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.313 1.045 . . . . 0.0 113.062 -172.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.87 16.87 50.18 Favored Glycine 0 CA--C 1.54 1.62 0 C-N-CA 124.877 1.227 . . . . 0.0 115.207 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -128.45 124.17 35.53 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.04 1.336 . . . . 0.0 110.624 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -78.49 107.64 11.29 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.371 0.987 . . . . 0.0 108.734 176.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -128.97 130.03 46.18 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.926 1.69 . . . . 0.0 110.066 -168.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 90.6 m95 -78.73 126.43 30.71 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 121.434 -0.791 . . . . 0.0 111.852 -179.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -126.71 155.14 43.17 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.025 1.33 . . . . 0.0 110.632 171.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 31.6 mttm -79.22 161.58 26.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.163 0.985 . . . . 0.0 110.564 -176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.8 ttm-85 -41.75 -61.18 1.15 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.655 1.182 . . . . 0.0 111.971 169.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 26.0 ptm -72.3 -14.83 61.85 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 -178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.76 -3.49 56.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.868 0.867 . . . . 0.0 112.082 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 81.0 t -112.27 117.04 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 C-N-CA 125.596 1.558 . . . . 0.0 108.524 175.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.1 pt -125.11 143.69 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 C-N-CA 124.313 1.045 . . . . 0.0 109.429 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.6 mt -98.72 130.75 45.21 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.295 1.038 . . . . 0.0 108.659 -174.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.34 154.38 24.1 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.409 -0.807 . . . . 0.0 109.539 169.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -55.69 -36.38 67.09 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 175.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.12 -36.96 80.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 121.529 -0.732 . . . . 0.0 111.172 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -73.91 -50.33 20.64 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.984 0.914 . . . . 0.0 110.105 177.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.0 -34.71 46.91 Favored Glycine 0 N--CA 1.471 0.987 0 C-N-CA 125.615 1.578 . . . . 0.0 113.417 175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -56.0 -43.71 77.93 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.171 -1.194 . . . . 0.0 113.562 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -57.27 -24.81 57.25 Favored 'General case' 0 N--CA 1.49 1.575 0 CA-C-N 119.841 1.201 . . . . 0.0 112.907 175.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -92.33 -30.88 15.59 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.458 1.103 . . . . 0.0 111.468 177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -55.94 -37.31 68.82 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.939 1.695 . . . . 0.0 112.953 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -56.73 -33.24 66.33 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.396 1.628 . . . . 0.0 115.396 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.7 -34.8 5.94 Favored 'General case' 0 N--CA 1.432 -1.342 0 C-N-CA 125.128 1.371 . . . . 0.0 111.373 -169.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.4 m-30 -106.31 -12.41 15.7 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.306 1.443 . . . . 0.0 114.127 -172.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.04 135.06 50.6 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.407 1.003 . . . . 0.0 112.376 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -66.05 -49.43 67.72 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.481 1.141 . . . . 0.0 110.919 175.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.284 0 CA-C-N 112.479 -2.146 . . . . 0.0 114.869 -168.663 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 m -59.47 138.86 57.54 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.297 1.039 . . . . 0.0 112.03 -176.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 14.5 m -72.85 -0.42 13.42 Favored 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 30.7 mtm105 -140.3 162.04 36.24 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 126.526 1.93 . . . . 0.0 112.641 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -66.22 173.18 3.3 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.065 0.946 . . . . 0.0 112.352 172.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.78 123.86 6.54 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 126.882 2.073 . . . . 0.0 113.287 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . 0.284 . . . . . . . 0 N--CA 1.485 1.297 1 C-N-CA 132.26 4.224 . . . . 0.0 119.851 -176.099 . . . . . . . . 2 1 . 1 . 004 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 9.6 tt -65.67 134.13 52.58 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.654 1.181 . . . . 0.0 113.817 -169.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 15.8 tpp 179.93 120.42 0.06 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 127.155 2.182 . . . . 0.0 111.512 168.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -82.66 174.9 10.59 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.94 2.096 . . . . 0.0 114.509 -170.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -74.35 -6.51 48.54 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 125.116 1.367 . . . . 0.0 113.802 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.255 1.378 0 C-N-CA 127.245 2.218 . . . . 0.0 114.294 -178.063 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -141.77 163.53 32.65 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.297 1.439 . . . . 0.0 111.966 -171.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.9 mmt -63.61 156.69 25.92 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.091 0.956 . . . . 0.0 113.113 173.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.6 p30 -145.32 -176.23 5.02 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.093 1.757 . . . . 0.0 111.908 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 3.0 p -69.9 56.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 128.288 2.635 . . . . 0.0 115.052 -177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 70.32 -48.45 0.64 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.111 2.164 . . . . 0.0 112.862 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 22.4 t -68.05 98.76 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 C-N-CA 127.063 2.145 . . . . 0.0 111.652 -169.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 130.27 -23.41 4.6 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 126.201 1.858 . . . . 0.0 113.301 -177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.3 mt -70.84 133.81 46.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.074 1.749 . . . . 0.0 113.655 -177.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -76.55 123.26 25.79 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.826 1.25 . . . . 0.0 109.584 168.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.0 m -146.24 -178.94 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 126.787 2.035 . . . . 0.0 108.954 -170.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.7 t -124.53 135.47 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 O-C-N 120.749 -1.219 . . . . 0.0 109.842 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.594 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -137.3 155.55 49.32 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 119.538 1.063 . . . . 0.0 112.67 -169.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -85.06 125.89 33.12 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 174.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.7 t-105 -71.51 134.18 46.33 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.444 0.64 . . . . 0.0 110.589 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.0 p -71.46 -9.85 58.84 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 119.032 2.975 . . . . 0.0 119.032 -165.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -73.1 42.33 0.11 Allowed 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 121.652 2.024 . . . . 0.0 112.819 171.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 61.4 t30 42.23 47.0 4.0 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.166 2.186 . . . . 0.0 112.186 -167.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -93.65 -151.99 28.72 Favored Glycine 0 C--N 1.341 0.828 0 C-N-CA 124.242 0.925 . . . . 0.0 114.014 -170.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.423 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.0 m-30 -105.05 -173.53 2.32 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.3 1.84 . . . . 0.0 108.996 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -109.0 123.03 48.48 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.577 1.151 . . . . 0.0 109.952 -169.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -124.68 146.01 49.36 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.923 1.289 . . . . 0.0 110.131 -170.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 80.2 p -74.52 150.47 39.79 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.079 -1.013 . . . . 0.0 112.199 177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.62 -174.82 40.87 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 123.925 0.774 . . . . 0.0 112.903 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 136.56 54.84 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.106 0.963 . . . . 0.0 109.29 177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.48 122.63 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -100.49 -26.73 13.75 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.736 0.815 . . . . 0.0 112.743 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.95 136.42 0.89 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.832 1.653 . . . . 0.0 112.947 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.6 t0 -64.55 103.05 0.62 Allowed 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.014 -1.053 . . . . 0.0 110.234 166.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.79 -52.36 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.134 0.974 . . . . 0.0 109.634 -176.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.82 162.53 11.15 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 125.246 1.403 . . . . 0.0 111.155 171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 57.17 3.28 0.14 Allowed 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 117.028 2.233 . . . . 0.0 117.028 173.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 122.77 -13.34 8.65 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 126.047 1.784 . . . . 0.0 113.215 -174.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.63 135.64 36.62 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 120.37 2.085 . . . . 0.0 109.176 172.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -124.32 136.88 54.44 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.141 1.376 . . . . 0.0 109.505 173.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -73.51 126.36 30.04 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 127.005 2.122 . . . . 0.0 109.676 175.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.7 114.67 20.26 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.775 1.23 . . . . 0.0 112.828 -174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 53.2 tp -84.41 99.33 10.59 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.412 1.485 . . . . 0.0 109.652 169.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.79 150.66 48.81 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.451 1.1 . . . . 0.0 111.467 173.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -64.33 -24.72 67.75 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -174.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 46.2 p-10 -70.31 -11.15 60.71 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.223 1.194 . . . . 0.0 114.223 171.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 112.55 -3.13 26.31 Favored Glycine 0 CA--C 1.536 1.346 0 C-N-CA 126.504 2.002 . . . . 0.0 114.147 172.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -79.09 152.83 30.6 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.969 1.307 . . . . 0.0 111.968 -176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.22 133.88 35.61 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.261 1.025 . . . . 0.0 111.982 175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 20.1 t -152.83 166.39 32.41 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.341 1.056 . . . . 0.0 111.177 170.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -81.18 132.95 35.38 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.939 1.696 . . . . 0.0 110.293 171.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.6 t -134.61 134.28 54.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 124.742 1.217 . . . . 0.0 108.889 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.0 mt -69.08 149.12 49.06 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.946 -1.096 . . . . 0.0 112.333 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.08 -37.81 59.49 Favored Glycine 0 CA--C 1.528 0.864 0 C-N-CA 124.192 0.901 . . . . 0.0 114.148 -172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.579 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.08 -37.8 64.64 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 122.073 -0.663 . . . . 0.0 112.07 175.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -91.08 19.21 5.93 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.555 2.342 . . . . 0.0 113.806 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -133.46 135.44 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 107.603 176.652 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 36.8 mt -122.37 109.83 14.9 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 127.204 2.202 . . . . 0.0 109.28 -166.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.516 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -111.34 3.4 18.24 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.921 1.822 . . . . 0.0 115.921 -169.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 21.6 t -126.48 35.11 4.7 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.973 1.309 . . . . 0.0 109.192 175.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -112.3 58.69 0.54 Allowed Pre-proline 0 CA--C 1.543 0.7 0 N-CA-C 116.197 1.925 . . . . 0.0 116.197 -168.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -67.68 124.01 11.44 Favored 'Trans proline' 0 CA--C 1.544 1.002 0 N-CA-C 101.764 -3.975 . . . . 0.0 101.764 159.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.454 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.8 mm -57.27 117.27 17.15 Favored Pre-proline 0 CA--C 1.542 0.651 0 O-C-N 121.539 -0.725 . . . . 0.0 110.842 -164.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -63.56 130.26 27.62 Favored 'Trans proline' 0 N--CA 1.45 -1.074 0 C-N-CA 121.815 1.677 . . . . 0.0 110.357 -175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.75 ' H ' HD12 ' A' 1540 ' ' LEU . 1.3 mp -58.78 151.51 21.12 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.476 173.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 35.9 m-20 69.35 -0.15 2.66 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.779 2.031 . . . . 0.0 114.35 -168.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.06 149.77 26.72 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 120.482 1.492 . . . . 0.0 110.97 169.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.83 139.09 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 123.935 0.894 . . . . 0.0 110.191 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 11.3 m -150.54 155.06 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 124.86 1.264 . . . . 0.0 112.308 -172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 8.4 m -90.81 146.26 24.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -128.84 143.49 50.92 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.645 1.978 . . . . 0.0 109.604 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.0 mp -127.25 141.61 51.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 177.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.6 m -105.92 159.15 16.25 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.239 1.016 . . . . 0.0 111.808 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.02 -25.07 68.21 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.449 -0.782 . . . . 0.0 112.549 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 13.9 t0 -81.39 9.9 6.53 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.225 171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 86.92 -13.19 0.52 Allowed 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 130.352 3.461 . . . . 0.0 118.193 167.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -58.87 159.08 7.34 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.906 1.23 . . . . 0.0 113.9 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -134.51 131.65 38.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.702 1.201 . . . . 0.0 111.235 168.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.8 p -152.52 176.41 11.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.728 1.611 . . . . 0.0 110.628 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -126.17 154.96 42.49 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 120.369 1.44 . . . . 0.0 114.782 -175.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.9 -158.5 14.9 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 127.09 2.281 . . . . 0.0 110.745 -170.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 56.4 t -136.83 136.01 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 O-C-N 121.44 -1.035 . . . . 0.0 111.709 -170.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 48.0 t -65.18 131.36 30.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 121.784 -0.572 . . . . 0.0 111.323 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -134.04 11.82 3.93 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.602 1.561 . . . . 0.0 114.563 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.2 176.04 45.31 Favored Glycine 0 N--CA 1.476 1.302 0 O-C-N 120.954 -1.091 . . . . 0.0 115.102 174.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.7 m80 -139.73 148.02 41.71 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.446 2.298 . . . . 0.0 112.325 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -143.2 151.23 40.38 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.804 1.642 . . . . 0.0 109.429 173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -122.99 141.0 52.44 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.313 1.445 . . . . 0.0 109.223 170.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -141.07 100.36 3.8 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 123.758 0.823 . . . . 0.0 110.349 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.9 m 58.39 -42.78 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.843 2.857 . . . . 0.0 117.782 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -172.71 18.04 0.05 OUTLIER Glycine 0 CA--C 1.539 1.589 0 C-N-CA 127.172 2.32 . . . . 0.0 113.367 177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -139.52 166.71 23.84 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 118.684 1.242 . . . . 0.0 110.546 -177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.3 tp -122.02 145.98 47.61 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.632 1.173 . . . . 0.0 112.932 -165.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -135.15 158.08 45.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.155 2.182 . . . . 0.0 111.59 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.454 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 89.0 m-85 -137.63 131.83 32.12 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.377 1.471 . . . . 0.0 109.81 -177.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 36.5 t -82.68 115.41 21.61 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 168.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -100.51 129.41 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -85.59 103.08 14.1 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.436 -1.69 . . . . 0.0 106.436 168.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -120.54 124.85 46.36 Favored 'General case' 0 CA--C 1.516 -0.348 0 C-N-CA 124.606 1.162 . . . . 0.0 110.006 -174.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 57.02 22.77 7.63 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 123.912 0.885 . . . . 0.0 112.683 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.43 15.88 48.71 Favored Glycine 0 CA--C 1.54 1.649 0 C-N-CA 125.264 1.411 . . . . 0.0 115.17 -176.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -128.37 123.31 33.55 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.01 1.324 . . . . 0.0 110.583 -169.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.4 mtm180 -78.59 110.81 14.03 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 119.35 0.977 . . . . 0.0 108.577 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -132.24 130.7 41.29 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.431 1.492 . . . . 0.0 110.284 -168.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -78.99 126.96 31.37 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 121.572 -0.705 . . . . 0.0 111.733 -179.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -128.99 156.59 43.56 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.13 1.372 . . . . 0.0 111.605 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -75.9 159.13 31.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.847 1.259 . . . . 0.0 110.629 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -48.67 -53.48 18.52 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.824 1.193 . . . . 0.0 111.761 169.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.4 ppp? -68.35 -21.71 64.72 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -80.58 -22.41 40.74 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 122.431 -0.168 . . . . 0.0 110.874 176.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 90.2 t -96.61 91.05 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.448 1.499 . . . . 0.0 108.377 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.6 pt -99.31 138.73 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 C-N-CA 124.996 1.318 . . . . 0.0 108.905 -174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.5 mt -97.62 118.93 35.24 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 -169.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.57 150.73 6.58 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.183 0.593 . . . . 0.0 110.505 172.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.03 -32.19 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -68.36 -37.82 80.84 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.549 -0.72 . . . . 0.0 111.461 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -61.17 -51.59 68.39 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.864 0.866 . . . . 0.0 109.71 172.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.7 -38.6 64.4 Favored Glycine 0 N--CA 1.474 1.22 0 C-N-CA 124.105 0.859 . . . . 0.0 113.666 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -57.29 -51.61 68.65 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.269 1.028 . . . . 0.0 112.982 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 40.7 mtt-85 -58.55 -0.91 0.11 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.413 1.485 . . . . 0.0 114.732 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 20.2 mt -121.97 -27.76 4.55 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 125.652 1.581 . . . . 0.0 110.962 -178.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -53.55 -39.74 65.0 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 120.142 1.337 . . . . 0.0 111.478 172.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -52.07 -38.35 56.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.828 1.651 . . . . 0.0 114.753 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -111.41 -36.32 5.57 Favored 'General case' 0 N--CA 1.432 -1.354 0 C-N-CA 125.354 1.462 . . . . 0.0 112.344 -170.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -110.88 -7.9 14.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.863 1.665 . . . . 0.0 114.699 -169.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.52 135.4 37.5 Favored Glycine 0 CA--C 1.536 1.401 0 C-N-CA 124.603 1.097 . . . . 0.0 112.373 176.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.516 HD22 HD23 ' A' 1534 ' ' LEU . 2.0 mt -66.41 -34.36 77.79 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.641 1.22 . . . . 0.0 111.443 172.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.233 0 CA-C-O 116.91 -2.05 . . . . 0.0 114.708 -169.502 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 10.5 t -149.98 176.28 10.92 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 125.328 1.451 . . . . 0.0 111.653 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 10.7 t -153.44 135.67 14.89 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.282 1.433 . . . . 0.0 111.103 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -153.81 149.93 27.92 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.09 176.98 6.04 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.956 1.302 . . . . 0.0 114.007 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.32 -30.67 40.35 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.935 2.094 . . . . 0.0 115.09 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.493 0 C-N-CA 127.462 2.305 . . . . 0.0 108.631 171.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . 0.326 0.1 OUTLIER 116.22 12.59 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.465 1 C-N-CA 131.906 4.082 . . . . 0.0 112.677 178.342 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.87 89.24 2.34 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 119.461 -2.024 . . . . 0.0 109.146 170.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -124.96 166.62 16.0 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.852 2.061 . . . . 0.0 111.426 -176.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -138.65 159.97 40.79 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.833 1.653 . . . . 0.0 111.459 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.36 1.864 . . . . 0.0 112.311 178.535 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 112.641 -0.184 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -149.47 167.24 26.77 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.351 1.46 . . . . 0.0 111.854 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.6 mmm -63.18 164.22 9.01 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.134 1.373 . . . . 0.0 113.419 173.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.6 t30 -135.83 170.41 16.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.062 1.745 . . . . 0.0 111.879 177.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 60.8 p -55.57 171.12 0.21 Allowed 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.373 -1.285 . . . . 0.0 109.869 166.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -25.9 -51.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 127.748 2.419 . . . . 0.0 114.541 168.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.5 t -62.41 109.25 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.022 0.929 . . . . 0.0 111.882 -177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.79 -19.46 15.94 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 126.493 1.997 . . . . 0.0 113.66 -177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 30.5 mt -74.36 134.11 42.5 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.579 1.189 . . . . 0.0 112.815 -176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 72.4 mtm180 -78.06 126.35 30.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.51 1.124 . . . . 0.0 109.488 168.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 16.2 m -148.72 -178.21 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 126.015 1.726 . . . . 0.0 109.463 -170.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -123.99 138.78 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.366 0 O-C-N 120.95 -1.094 . . . . 0.0 109.062 173.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.06 159.31 42.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.372 1.069 . . . . 0.0 112.537 -169.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -84.57 134.18 34.41 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.927 -0.483 . . . . 0.0 111.047 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 7.7 t-105 -87.23 107.43 18.48 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 166.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.7 p -60.82 -32.14 71.52 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -169.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 42.5 m -82.86 5.64 21.06 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -145.2 -41.72 0.23 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 172.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 135.61 -15.45 4.12 Favored Glycine 0 N--CA 1.477 1.428 0 N-CA-C 118.47 2.148 . . . . 0.0 118.47 170.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -105.23 170.7 7.73 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 120.77 2.285 . . . . 0.0 111.708 -170.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -112.79 129.0 56.59 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.993 0.917 . . . . 0.0 110.751 -169.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -131.01 148.47 52.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.503 1.521 . . . . 0.0 110.415 -169.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 89.2 p -72.89 151.56 41.88 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.214 -0.929 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.46 -171.43 37.31 Favored Glycine 0 CA--C 1.525 0.664 0 O-C-N 122.202 -0.311 . . . . 0.0 113.322 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.55 134.46 51.97 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.682 1.193 . . . . 0.0 108.942 177.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -69.35 119.53 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 107.288 -1.375 . . . . 0.0 107.288 171.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -98.51 -25.08 14.88 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.059 0.944 . . . . 0.0 112.865 -174.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.23 139.72 1.8 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.085 1.754 . . . . 0.0 112.484 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 9.7 t0 -68.29 102.92 1.47 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.918 -1.114 . . . . 0.0 110.21 167.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.87 -52.23 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 C-N-CA 124.076 0.951 . . . . 0.0 109.469 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.81 169.77 14.7 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.037 1.779 . . . . 0.0 110.628 172.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.55 -1.14 0.23 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 115.72 -11.11 18.54 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 125.979 1.752 . . . . 0.0 113.027 -169.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 41.8 mtmt -79.67 135.27 36.51 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 120.303 2.051 . . . . 0.0 109.357 171.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -123.58 136.33 54.47 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.822 1.649 . . . . 0.0 109.471 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -71.62 122.47 20.61 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 127.237 2.215 . . . . 0.0 109.259 175.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.59 113.97 20.52 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.29 1.436 . . . . 0.0 112.867 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.7 tp -84.57 102.23 12.73 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 125.527 1.531 . . . . 0.0 108.982 167.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -67.49 145.04 55.36 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 123.709 0.804 . . . . 0.0 111.64 172.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -63.67 -23.71 67.48 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.231 -0.918 . . . . 0.0 112.914 176.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.65 -4.18 18.3 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.07 -1.63 29.94 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.718 1.628 . . . . 0.0 115.209 168.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -99.4 160.61 14.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.337 1.455 . . . . 0.0 112.654 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -132.38 138.73 47.82 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.019 -1.05 . . . . 0.0 112.022 172.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -151.2 159.52 44.36 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 124.158 0.983 . . . . 0.0 111.785 171.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -81.45 128.57 34.02 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.082 1.353 . . . . 0.0 108.962 169.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -128.69 134.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 124.904 1.281 . . . . 0.0 109.188 -176.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.96 151.02 45.1 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.127 -0.983 . . . . 0.0 112.288 176.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.7 -39.52 46.63 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 124.471 1.034 . . . . 0.0 114.041 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.571 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.91 -32.89 64.15 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 175.826 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -95.28 19.99 9.93 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.425 1.89 . . . . 0.0 114.527 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -135.42 133.45 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 120.517 -1.364 . . . . 0.0 109.737 178.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.87 112.8 20.12 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.056 2.542 . . . . 0.0 108.121 -169.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.3 0.91 14.98 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 117.495 2.405 . . . . 0.0 117.495 -167.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.9 t -124.54 44.7 2.69 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.15 1.38 . . . . 0.0 107.298 175.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 56.8 t0 -114.28 71.57 2.23 Favored Pre-proline 0 C--O 1.241 0.648 0 N-CA-C 117.594 2.442 . . . . 0.0 117.594 -164.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -74.44 124.7 9.09 Favored 'Trans proline' 0 CA--C 1.546 1.118 0 N-CA-C 103.373 -3.357 . . . . 0.0 103.373 158.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' 1570 ' ' TYR . 9.2 mm -58.36 118.05 24.85 Favored Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 118.987 0.812 . . . . 0.0 109.194 -168.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -65.13 130.72 26.38 Favored 'Trans proline' 0 N--CA 1.454 -0.839 0 C-N-CA 121.566 1.511 . . . . 0.0 110.96 -171.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' 1540 ' ' LEU . 1.4 mp -57.83 149.87 21.46 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.331 171.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.5 m-20 69.89 1.56 3.5 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.271 2.228 . . . . 0.0 114.934 -168.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.17 148.48 25.65 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.521 1.509 . . . . 0.0 111.354 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -88.91 137.09 32.63 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.012 0.925 . . . . 0.0 110.446 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 6.2 m -149.18 155.53 8.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.047 1.339 . . . . 0.0 111.881 -169.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.07 138.99 31.18 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 168.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.71 142.54 47.58 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.879 2.072 . . . . 0.0 110.26 -177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.5 mt -127.15 133.97 50.26 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.624 1.57 . . . . 0.0 111.962 -177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.4 m -105.25 156.12 18.43 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.577 -0.702 . . . . 0.0 111.744 -172.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -64.01 -23.25 67.26 Favored 'General case' 0 N--CA 1.481 1.123 0 O-C-N 121.237 -0.915 . . . . 0.0 113.455 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -82.3 9.44 8.88 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 125.38 1.472 . . . . 0.0 113.165 169.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 82.96 -6.15 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 130.074 3.35 . . . . 0.0 116.227 171.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -55.16 146.49 18.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.485 1.039 . . . . 0.0 112.226 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.14 129.2 37.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.17 0.988 . . . . 0.0 110.068 172.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 86.9 p -153.4 178.2 10.06 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.699 1.2 . . . . 0.0 111.94 -172.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.99 154.71 47.12 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 120.626 1.557 . . . . 0.0 114.032 176.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.0 -161.68 22.08 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 126.28 1.895 . . . . 0.0 111.081 -172.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.6 t -133.62 134.47 56.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 O-C-N 121.301 -1.117 . . . . 0.0 111.305 -170.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.7 129.94 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 118.92 -0.562 . . . . 0.0 111.269 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 93.1 mttt -138.04 19.51 2.81 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.151 1.381 . . . . 0.0 114.327 171.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.44 175.65 46.76 Favored Glycine 0 N--CA 1.473 1.166 0 O-C-N 121.012 -1.055 . . . . 0.0 115.042 170.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -140.05 148.39 41.72 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.207 2.203 . . . . 0.0 112.513 -176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -144.38 158.26 43.84 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.139 1.776 . . . . 0.0 109.376 173.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.38 139.58 53.55 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.314 1.446 . . . . 0.0 109.771 169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -135.58 104.17 5.71 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.079 0.552 . . . . 0.0 111.183 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.5 m 47.85 35.22 4.57 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 115.882 1.808 . . . . 0.0 115.882 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 105.5 11.35 29.23 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.438 1.018 . . . . 0.0 115.148 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -131.0 156.58 44.88 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.011 1.724 . . . . 0.0 109.023 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.9 tp -115.04 146.41 41.3 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.585 1.554 . . . . 0.0 111.277 -169.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -138.25 158.24 44.68 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.575 1.95 . . . . 0.0 111.473 -171.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.456 ' CE1' ' HB ' ' A' 1538 ' ' ILE . 96.4 m-85 -139.85 125.73 19.59 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 125.363 1.465 . . . . 0.0 109.981 -171.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 43.7 t -81.08 115.62 20.61 Favored 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 168.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.6 mm -101.96 131.01 50.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 107.421 -1.325 . . . . 0.0 107.421 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -85.99 105.65 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -126.41 118.59 25.31 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.067 1.347 . . . . 0.0 108.725 -168.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 52.86 29.87 8.31 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.69 1.196 . . . . 0.0 112.904 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.44 15.98 59.45 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 124.454 1.026 . . . . 0.0 114.873 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -125.07 121.44 34.32 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.969 1.308 . . . . 0.0 110.17 -170.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -80.08 105.48 11.39 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 119.231 0.923 . . . . 0.0 108.598 179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -126.3 131.98 51.74 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.7 1.6 . . . . 0.0 110.483 -167.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.18 121.82 25.51 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.204 0.526 . . . . 0.0 111.741 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -123.23 154.92 38.12 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.17 1.388 . . . . 0.0 111.175 173.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -77.28 156.05 31.66 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.92 . . . . 0.0 110.121 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -43.11 -57.12 3.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.518 1.127 . . . . 0.0 112.531 168.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 15.9 ptm -71.83 -14.65 62.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.13 -5.84 57.47 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.101 0.56 . . . . 0.0 112.201 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 84.9 t -110.43 92.89 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 125.771 1.628 . . . . 0.0 108.768 177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.8 pt -99.55 147.85 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 124.832 1.253 . . . . 0.0 110.196 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 15.3 mt -114.83 137.84 51.48 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.907 1.683 . . . . 0.0 109.793 -169.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.07 162.57 27.96 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.038 -1.039 . . . . 0.0 109.66 167.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -56.25 -36.42 68.51 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 169.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -74.96 -33.26 61.88 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.014 -1.054 . . . . 0.0 110.553 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 60.4 mm-40 -69.2 -51.65 35.77 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.311 0.645 . . . . 0.0 109.505 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.69 -30.19 68.54 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.19 1.376 . . . . 0.0 114.366 177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -56.82 -40.6 76.31 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.777 1.789 . . . . 0.0 113.212 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -56.71 -28.23 60.53 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.016 1.28 . . . . 0.0 112.835 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.33 -30.37 16.61 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 111.903 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -58.03 -39.45 78.4 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.382 1.473 . . . . 0.0 111.8 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.11 -30.88 50.38 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.17 -32.21 6.84 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 124.663 1.185 . . . . 0.0 111.423 -173.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -104.15 -15.52 15.51 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -171.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.42 139.67 20.8 Favored Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.517 1.532 . . . . 0.0 113.902 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -72.37 -35.92 68.6 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 118.394 1.097 . . . . 0.0 111.499 172.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 126.505 2.002 . . . . 0.0 114.744 -169.021 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 52.6 p . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.978 0.418 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.0 t -152.13 156.98 40.91 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.01 1.324 . . . . 0.0 111.546 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.8 m -73.18 123.76 24.28 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.615 0.766 . . . . 0.0 109.674 169.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -150.18 155.42 39.73 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.01 0.823 . . . . 0.0 112.745 172.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -63.81 163.59 11.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.956 1.702 . . . . 0.0 113.5 -173.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -60.17 -20.55 59.06 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.491 0 C-N-CA 124.916 1.286 . . . . 0.0 113.409 173.691 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.433 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.9 tm? -57.68 107.9 0.5 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.34 1.056 . . . . 0.0 112.293 -173.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 14.1 tpt -171.36 152.3 3.28 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.428 1.891 . . . . 0.0 111.502 167.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -162.93 159.8 24.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.269 1.828 . . . . 0.0 111.462 -171.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -63.52 153.88 34.23 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.406 0.682 . . . . 0.0 112.424 172.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 30.8 m . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.033 1.733 . . . . 0.0 110.78 -177.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 112.921 -0.071 . . . . 0.0 112.921 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 40.4 t60 -136.69 12.52 3.18 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 124.851 1.26 . . . . 0.0 113.572 -175.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 23.2 mmt -138.24 164.85 28.17 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.041 1.337 . . . . 0.0 113.308 -169.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.9 t30 -144.67 166.99 23.62 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 126.621 1.968 . . . . 0.0 111.375 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 39.4 p -53.63 154.44 3.7 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.242 -1.345 . . . . 0.0 108.804 165.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -13.06 -59.77 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 128.627 2.771 . . . . 0.0 115.799 169.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . 0.411 HG23 ' H ' ' A' 1487 ' ' VAL . 3.8 t -44.62 99.11 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 127.365 2.266 . . . . 0.0 113.131 173.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 124.89 -20.38 6.78 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 126.233 1.873 . . . . 0.0 113.714 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.3 mp -79.52 140.11 37.36 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.796 1.238 . . . . 0.0 112.407 -177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -78.08 128.16 33.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.74 1.216 . . . . 0.0 110.178 169.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.1 m -150.04 176.59 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 126.333 1.853 . . . . 0.0 109.102 -171.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -118.76 136.68 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 120.588 -1.32 . . . . 0.0 109.01 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.529 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -134.07 155.99 49.04 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.189 0.995 . . . . 0.0 111.783 -169.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -85.52 124.61 32.29 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 172.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 21.9 t-105 -72.94 138.04 45.9 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 168.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 60.0 p -68.65 -173.5 0.46 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 124.639 1.175 . . . . 0.0 114.133 -172.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.4 m 53.02 39.79 30.08 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.672 -1.268 . . . . 0.0 112.351 -169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.1 t30 49.76 53.88 11.99 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 127.415 2.286 . . . . 0.0 115.113 -175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -83.42 -157.57 24.56 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-O 122.007 0.782 . . . . 0.0 114.221 173.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.2 m-30 -105.13 -173.03 2.21 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.648 1.979 . . . . 0.0 109.567 177.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -108.49 124.51 50.54 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 124.827 1.251 . . . . 0.0 110.267 -173.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -128.95 145.37 51.25 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.259 1.424 . . . . 0.0 110.149 -169.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 71.5 p -73.55 149.35 42.25 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 121.065 -1.022 . . . . 0.0 112.005 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.08 -172.29 37.84 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.663 0.649 . . . . 0.0 113.496 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.49 135.99 50.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.028 1.331 . . . . 0.0 109.257 177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.55 124.79 22.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 171.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.4 p -105.67 -25.25 12.32 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.026 0.931 . . . . 0.0 113.062 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.0 164.07 18.32 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.356 1.862 . . . . 0.0 111.32 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.0 t0 -100.05 101.33 12.37 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.718 1.607 . . . . 0.0 107.954 172.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.56 -50.86 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.683 0.793 . . . . 0.0 110.431 -174.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.97 169.79 12.56 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 125.845 1.688 . . . . 0.0 111.211 176.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.19 -2.38 0.16 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 116.931 2.197 . . . . 0.0 116.931 176.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 118.4 -14.44 12.0 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 126.076 1.798 . . . . 0.0 112.579 -169.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -81.66 127.62 33.1 Favored 'General case' 0 CA--C 1.507 -0.704 0 CA-C-N 119.799 1.799 . . . . 0.0 110.83 175.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.87 135.82 53.85 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -71.43 127.81 33.8 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.863 1.665 . . . . 0.0 109.25 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.406 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -124.11 117.03 23.74 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.023 1.329 . . . . 0.0 112.115 -175.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 44.3 tp -84.49 105.47 15.33 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.195 1.398 . . . . 0.0 109.938 168.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.75 148.35 49.3 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 124.056 0.942 . . . . 0.0 111.956 174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -61.94 -24.12 66.79 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 170.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 43.2 t0 -61.81 -16.45 50.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.561 1.544 . . . . 0.0 112.343 170.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.11 2.93 41.96 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 126.168 1.842 . . . . 0.0 114.597 173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -94.82 158.97 15.26 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 126.363 1.865 . . . . 0.0 112.446 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -134.59 132.41 39.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.119 0.968 . . . . 0.0 111.146 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 34.0 t -150.31 169.78 20.57 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.303 1.041 . . . . 0.0 110.74 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -86.85 128.25 35.04 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.669 1.988 . . . . 0.0 109.01 176.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.1 t -132.14 129.12 59.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.614 0.766 . . . . 0.0 109.049 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.45 147.84 47.46 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.728 -0.608 . . . . 0.0 112.239 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.88 -42.52 29.66 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 123.975 0.798 . . . . 0.0 113.11 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.566 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -56.31 -33.55 65.67 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.719 -0.871 . . . . 0.0 113.324 177.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -94.26 17.29 13.01 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 127.542 2.337 . . . . 0.0 113.725 -172.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.529 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -130.42 145.53 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 124.592 1.157 . . . . 0.0 108.058 174.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 40.9 mt -129.25 109.46 11.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 126.348 1.859 . . . . 0.0 109.457 -165.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.492 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -109.31 0.88 19.76 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 116.709 2.114 . . . . 0.0 116.709 -168.802 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 31.5 t -123.46 44.14 2.77 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.3 t0 -119.0 61.32 5.2 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 117.081 2.252 . . . . 0.0 117.081 -166.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.21 124.67 11.55 Favored 'Trans proline' 0 CA--C 1.546 1.117 0 N-CA-C 102.306 -3.767 . . . . 0.0 102.306 159.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.474 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.8 mm -57.56 115.81 12.03 Favored Pre-proline 0 N--CA 1.476 0.828 0 CA-C-N 119.23 0.923 . . . . 0.0 110.675 -165.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -66.52 132.1 28.12 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 121.79 1.66 . . . . 0.0 110.872 -170.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.696 ' H ' HD12 ' A' 1540 ' ' LEU . 3.3 mp -58.26 151.53 19.24 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.899 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 69.1 0.31 2.76 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.111 1.764 . . . . 0.0 114.586 -169.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.97 145.2 27.85 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 120.366 1.439 . . . . 0.0 111.39 169.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -82.12 136.74 35.12 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.734 1.214 . . . . 0.0 110.47 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.4 m -149.62 155.27 8.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.48 1.512 . . . . 0.0 111.635 -172.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.3 m -91.46 144.05 25.96 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 167.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.71 137.55 54.88 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.767 2.027 . . . . 0.0 109.894 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.43 136.94 53.49 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.87 1.668 . . . . 0.0 111.941 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -105.55 153.26 22.0 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.559 1.143 . . . . 0.0 111.119 179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.25 -25.89 68.53 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 121.281 -0.887 . . . . 0.0 112.4 174.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 14.7 t0 -79.75 13.97 1.91 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 124.819 1.248 . . . . 0.0 113.193 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 82.78 -9.86 1.09 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 129.91 3.284 . . . . 0.0 117.514 168.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -58.97 144.13 45.96 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.803 1.183 . . . . 0.0 112.61 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -130.67 125.55 34.29 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.723 1.209 . . . . 0.0 110.478 171.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 35.2 p -153.51 176.85 11.57 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.316 1.047 . . . . 0.0 112.072 175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.64 152.69 36.68 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.27 -161.87 20.44 Favored Glycine 0 CA--C 1.53 0.976 0 C-N-CA 126.55 2.024 . . . . 0.0 110.765 -170.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 55.3 t -135.57 136.1 50.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 121.368 -1.077 . . . . 0.0 111.423 -171.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 32.8 t -64.57 130.18 29.37 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.583 0 C-N-CA 120.53 -0.468 . . . . 0.0 111.603 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.89 9.14 3.86 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 126.347 1.859 . . . . 0.0 114.398 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.95 174.44 46.29 Favored Glycine 0 N--CA 1.475 1.262 0 N-CA-C 115.271 0.868 . . . . 0.0 115.271 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.2 m80 -136.52 147.74 47.25 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 127.214 2.206 . . . . 0.0 111.787 -179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -141.89 150.1 41.09 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.334 1.454 . . . . 0.0 109.385 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -122.18 138.31 54.52 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.318 1.447 . . . . 0.0 108.846 170.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -139.96 101.07 4.08 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 123.847 0.859 . . . . 0.0 109.85 -169.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 70.6 m 58.19 -42.3 0.06 Allowed 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 128.865 2.866 . . . . 0.0 117.334 -179.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.68 24.26 0.06 OUTLIER Glycine 0 CA--C 1.537 1.434 0 C-N-CA 127.519 2.485 . . . . 0.0 112.976 176.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -142.8 166.8 23.65 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.94 1.37 . . . . 0.0 111.347 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 32.6 tp -118.47 141.27 48.73 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.623 1.169 . . . . 0.0 113.606 -166.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -131.08 157.49 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 112.147 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.474 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.1 m-85 -135.16 124.22 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 126.226 1.81 . . . . 0.0 108.702 -176.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.3 t -80.25 115.33 19.74 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 169.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -101.43 131.03 50.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 C-N-CA 124.538 1.135 . . . . 0.0 108.056 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -86.89 109.58 19.41 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.37 119.92 23.48 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 124.756 1.223 . . . . 0.0 108.142 -170.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 51.94 31.43 8.53 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.914 1.286 . . . . 0.0 112.664 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 85.22 14.09 69.75 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.671 1.129 . . . . 0.0 115.017 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -117.25 119.33 34.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.989 1.316 . . . . 0.0 109.618 -173.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -80.86 105.18 11.89 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 119.169 0.895 . . . . 0.0 108.941 178.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.4 tmtt? -127.32 134.25 50.02 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.736 1.614 . . . . 0.0 110.517 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.58 124.86 28.61 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 121.598 -0.689 . . . . 0.0 111.844 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -126.22 156.33 40.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.191 1.396 . . . . 0.0 110.583 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -79.38 158.65 27.36 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 124.492 1.117 . . . . 0.0 110.881 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -41.08 -58.17 1.83 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.889 1.276 . . . . 0.0 111.968 168.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 28.2 ptm -68.46 -23.8 64.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.72 -8.19 56.4 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.954 0.902 . . . . 0.0 111.776 178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 75.7 t -107.3 94.72 3.27 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 C-N-CA 125.632 1.573 . . . . 0.0 108.452 177.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -103.47 142.14 17.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 124.632 1.173 . . . . 0.0 109.558 -171.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.5 mt -97.93 116.84 30.96 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.467 1.107 . . . . 0.0 108.089 -174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -54.24 150.41 8.54 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.341 0.656 . . . . 0.0 110.188 171.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.85 -33.48 70.5 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.726 -1.234 . . . . 0.0 113.915 -171.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -65.75 -35.19 80.03 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.73 0.812 . . . . 0.0 111.645 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -67.45 -55.92 11.7 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.426 1.09 . . . . 0.0 109.369 172.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.24 -35.0 54.34 Favored Glycine 0 N--CA 1.473 1.142 0 C-N-CA 124.136 0.874 . . . . 0.0 113.339 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -53.68 -52.4 60.12 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.456 -1.026 . . . . 0.0 113.531 169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.8 mtt180 -59.47 -12.98 7.12 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.59 1.156 . . . . 0.0 113.507 176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.4 mp -102.07 -28.3 12.43 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.939 -1.029 . . . . 0.0 112.178 176.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -53.17 -39.27 63.47 Favored 'General case' 0 N--CA 1.489 1.488 0 CA-C-N 120.627 1.558 . . . . 0.0 112.134 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -56.39 -34.08 66.36 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -110.77 -36.8 5.6 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.346 1.458 . . . . 0.0 111.772 -169.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -110.6 -10.31 14.51 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.861 1.664 . . . . 0.0 113.926 -170.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -50.52 130.08 29.91 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.157 1.36 . . . . 0.0 112.096 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.492 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -66.0 -33.25 75.38 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 118.001 0.9 . . . . 0.0 111.828 175.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 C-N-CA 125.876 1.703 . . . . 0.0 114.631 -169.469 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 118.428 -0.796 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.8 m -129.18 -22.22 3.16 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 -168.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.6 m -132.55 35.95 3.59 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 -169.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 152.15 49.43 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.189 -0.945 . . . . 0.0 111.403 171.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.8 t-80 -61.24 159.73 11.69 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.467 1.107 . . . . 0.0 112.845 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -59.53 -22.0 61.03 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 171.262 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 8.5 tt -83.11 137.65 34.0 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -171.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 13.8 tpt -174.29 130.92 0.37 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 126.55 1.94 . . . . 0.0 111.164 164.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -82.58 -176.32 6.19 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.043 1.737 . . . . 0.0 113.491 -176.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 69.9 tttt -108.9 28.56 8.34 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 125.747 1.619 . . . . 0.0 111.984 174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.255 1.374 0 C-N-CA 127.218 2.207 . . . . 0.0 113.451 176.823 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.889 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -149.07 169.22 21.14 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.455 1.502 . . . . 0.0 111.779 179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 92.4 mtp -62.74 166.25 5.69 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.17 1.388 . . . . 0.0 112.862 173.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.8 168.31 19.95 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.413 1.485 . . . . 0.0 111.423 178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.57 63.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 128.875 2.87 . . . . 0.0 115.622 -173.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 98.7 m-85 67.82 -51.42 0.52 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.162 2.185 . . . . 0.0 112.159 -171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 16.1 t -63.97 108.11 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 C-N-CA 127.346 2.258 . . . . 0.0 110.945 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 122.38 -25.45 6.62 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.336 1.922 . . . . 0.0 113.668 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.8 mt -73.34 134.85 44.24 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.463 1.505 . . . . 0.0 114.266 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -75.53 123.92 26.29 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.927 1.291 . . . . 0.0 109.036 167.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.3 m -146.78 -178.2 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 126.543 1.937 . . . . 0.0 108.893 -172.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.7 t -122.98 140.18 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 O-C-N 120.427 -1.421 . . . . 0.0 109.327 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.596 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -142.35 160.13 40.86 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 119.771 1.169 . . . . 0.0 112.957 -173.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.3 tttt -85.13 122.43 29.33 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.685 0.394 . . . . 0.0 110.459 174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.6 t-105 -63.24 122.0 15.09 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 169.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 83.3 p -61.79 -15.92 45.42 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 -165.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 28.7 m -76.12 46.17 0.39 Allowed 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.611 1.55 . . . . 0.0 112.678 174.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 60.9 t30 43.15 46.91 5.22 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 127.979 2.512 . . . . 0.0 114.571 -172.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.33 -146.56 21.07 Favored Glycine 0 CA--C 1.536 1.376 0 CA-C-O 122.205 0.892 . . . . 0.0 114.87 -175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -104.98 -171.71 1.97 Allowed 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 126.973 2.109 . . . . 0.0 109.158 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.69 127.12 55.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.861 1.264 . . . . 0.0 110.773 -170.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -127.83 146.27 50.66 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.063 1.345 . . . . 0.0 109.827 -171.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 84.5 p -72.63 151.1 42.48 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.256 -0.902 . . . . 0.0 111.239 177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.21 -174.34 40.21 Favored Glycine 0 CA--C 1.525 0.684 0 C-N-CA 123.879 0.752 . . . . 0.0 112.94 -176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.74 134.9 55.26 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.446 1.098 . . . . 0.0 109.304 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 3.0 mt -67.85 121.4 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 169.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -101.36 -26.57 13.56 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.733 0.813 . . . . 0.0 112.964 -175.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -171.1 136.04 1.04 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.591 1.556 . . . . 0.0 113.306 174.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.7 t0 -64.06 102.83 0.53 Allowed 'General case' 0 N--CA 1.475 0.803 0 O-C-N 120.764 -1.21 . . . . 0.0 110.797 167.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.64 -52.18 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 123.967 0.907 . . . . 0.0 109.985 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.81 163.76 11.09 Favored Glycine 0 C--N 1.339 0.703 0 C-N-CA 125.035 1.302 . . . . 0.0 111.257 175.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 58.46 2.15 0.2 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 116.815 2.154 . . . . 0.0 116.815 177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.38 -6.07 23.08 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.653 1.597 . . . . 0.0 113.236 -171.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.5 135.81 36.18 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 120.493 2.146 . . . . 0.0 108.318 170.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . 0.41 ' CE1' HD12 ' A' 1602 ' ' LEU . 3.8 m-85 -125.84 135.42 51.95 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.484 1.513 . . . . 0.0 108.308 172.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -70.58 123.73 22.54 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 126.676 1.991 . . . . 0.0 109.925 176.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.542 HD21 HD13 ' A' 1532 ' ' ILE . 4.2 mm? -121.31 113.62 20.18 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.662 1.185 . . . . 0.0 112.232 -176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.3 tp -84.21 99.34 10.48 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 125.651 1.58 . . . . 0.0 109.173 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -66.07 148.21 52.16 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 124.37 1.068 . . . . 0.0 111.852 174.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -65.37 -22.07 66.76 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 113.637 0.977 . . . . 0.0 113.637 179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 18.9 p-10 -66.91 -11.07 54.95 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 110.26 -6.46 30.41 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 126.883 2.182 . . . . 0.0 113.621 173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -88.08 159.54 18.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.672 1.189 . . . . 0.0 112.575 -172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -132.77 136.62 46.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.154 -0.966 . . . . 0.0 111.843 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.2 156.04 42.09 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.183 0.993 . . . . 0.0 111.08 169.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.1 138.49 42.12 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.859 -1.15 . . . . 0.0 109.068 168.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.1 t -138.86 130.92 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.147 0.979 . . . . 0.0 110.102 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 tp -69.46 144.55 53.24 Favored 'General case' 0 C--O 1.222 -0.352 0 O-C-N 121.447 -0.783 . . . . 0.0 112.417 176.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.4 -34.74 34.5 Favored Glycine 0 C--N 1.335 0.497 0 C-N-CA 124.255 0.931 . . . . 0.0 115.139 -169.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.421 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.31 -37.8 73.04 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.974 0.892 . . . . 0.0 111.096 178.739 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -89.47 18.66 5.11 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 127.783 2.433 . . . . 0.0 113.757 -175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.596 HG23 ' HB2' ' A' 1493 ' ' ALA . 1.7 mt -131.67 130.81 62.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 174.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.17 105.81 12.19 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 128.572 2.749 . . . . 0.0 108.177 -167.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.642 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.54 -4.77 24.79 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 116.426 2.01 . . . . 0.0 116.426 -167.402 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.5 p -132.83 44.44 2.86 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.435 1.094 . . . . 0.0 108.966 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -113.28 61.29 0.78 Allowed Pre-proline 0 CA--C 1.544 0.745 0 C-N-CA 127.463 2.305 . . . . 0.0 114.244 -171.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -66.09 121.18 8.44 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 N-CA-C 102.261 -3.784 . . . . 0.0 102.261 161.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.475 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.1 mm -56.93 114.34 7.82 Favored Pre-proline 0 N--CA 1.475 0.792 0 CA-C-N 118.586 0.63 . . . . 0.0 111.123 -164.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -64.05 131.03 29.15 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 121.65 1.566 . . . . 0.0 110.856 -170.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.759 ' H ' HD12 ' A' 1540 ' ' LEU . 1.6 mp -58.13 150.97 19.95 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 114.73 -1.123 . . . . 0.0 109.73 172.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 68.62 0.35 2.59 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 126.516 1.926 . . . . 0.0 114.387 -168.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.27 150.11 25.64 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 120.358 1.435 . . . . 0.0 111.207 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -90.35 139.86 30.26 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 124.304 1.041 . . . . 0.0 110.062 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.0 m -151.28 155.38 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 124.762 1.225 . . . . 0.0 112.189 -169.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.41 147.91 23.13 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 168.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.31 132.77 44.76 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.73 2.012 . . . . 0.0 109.879 -172.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -118.83 134.81 54.9 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.481 1.512 . . . . 0.0 111.475 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -104.74 150.52 24.69 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.327 1.051 . . . . 0.0 110.031 176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.35 -20.9 64.87 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -80.34 2.85 23.14 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 124.915 1.286 . . . . 0.0 113.726 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 99.35 -14.39 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 131.692 3.997 . . . . 0.0 114.398 169.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.5 138.33 55.24 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.36 0.982 . . . . 0.0 112.992 -175.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.31 123.96 29.43 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.334 1.054 . . . . 0.0 111.798 176.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.5 p -153.66 177.21 11.21 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.23 1.012 . . . . 0.0 111.966 170.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.0 156.14 31.48 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.32 -160.98 18.8 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 126.485 1.993 . . . . 0.0 110.661 -169.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 60.5 t -135.28 134.03 52.66 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.998 0 O-C-N 121.439 -1.036 . . . . 0.0 111.702 -169.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.0 t -63.47 130.86 28.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 O-C-N 122.098 -0.376 . . . . 0.0 111.367 178.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -135.1 12.5 3.59 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 125.78 1.632 . . . . 0.0 114.551 172.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.61 174.56 45.68 Favored Glycine 0 N--CA 1.474 1.227 0 O-C-N 120.924 -1.11 . . . . 0.0 115.066 174.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.7 m80 -137.67 149.4 46.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.077 2.151 . . . . 0.0 111.844 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -145.23 152.34 39.81 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.964 1.706 . . . . 0.0 109.718 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.8 mmtp -124.53 138.69 54.31 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.157 1.383 . . . . 0.0 109.487 171.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -140.77 100.57 3.88 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.74 0.816 . . . . 0.0 110.448 -171.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 60.6 m 57.68 -43.92 0.05 OUTLIER 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 129.142 2.977 . . . . 0.0 117.743 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.4 20.57 0.07 OUTLIER Glycine 0 CA--C 1.538 1.495 0 C-N-CA 127.48 2.467 . . . . 0.0 113.381 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -140.22 164.72 29.33 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 118.852 1.326 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 36.9 tp -119.67 140.48 50.57 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.939 1.296 . . . . 0.0 111.381 -167.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -129.34 157.6 41.47 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 126.594 1.958 . . . . 0.0 111.964 -174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.475 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 93.6 m-85 -137.01 128.34 28.17 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.157 -177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 35.9 t -80.84 115.38 20.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 105.819 -1.919 . . . . 0.0 105.819 168.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.9 mm -101.29 129.96 51.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.13 104.63 15.89 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 168.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -124.41 127.04 46.93 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 124.58 1.152 . . . . 0.0 110.314 -174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 52.52 25.38 3.56 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.403 1.081 . . . . 0.0 113.295 -173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.94 15.17 53.32 Favored Glycine 0 CA--C 1.539 1.572 0 C-N-CA 125.148 1.356 . . . . 0.0 115.158 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -127.54 125.14 39.81 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.968 1.307 . . . . 0.0 110.694 -169.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -78.73 108.85 12.45 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-N 119.387 0.994 . . . . 0.0 108.712 174.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -130.07 129.79 44.05 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.56 1.544 . . . . 0.0 110.413 -168.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.3 m95 -78.93 125.93 30.02 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.543 -0.723 . . . . 0.0 111.732 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -127.07 158.52 36.77 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.373 1.469 . . . . 0.0 110.863 170.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 46.4 mttm -80.21 161.07 25.38 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.798 1.239 . . . . 0.0 110.918 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -48.99 -53.51 19.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.491 1.041 . . . . 0.0 111.294 168.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.7 ptm -67.48 -13.24 61.86 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.118 1.525 . . . . 0.0 115.118 178.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -101.51 -11.86 18.97 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.362 1.065 . . . . 0.0 112.12 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 88.8 t -101.04 91.18 2.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 C-N-CA 125.891 1.676 . . . . 0.0 107.786 173.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -97.86 138.12 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.34 117.21 31.06 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -169.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.58 150.31 12.43 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.566 -0.709 . . . . 0.0 110.202 172.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.2 pp -58.92 -32.78 69.88 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 120.57 -1.331 . . . . 0.0 114.149 -169.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -71.98 -24.06 61.53 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.595 -0.691 . . . . 0.0 111.958 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.21 -49.12 20.39 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.301 1.441 . . . . 0.0 109.983 169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.72 -38.55 53.34 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 125.113 1.34 . . . . 0.0 113.31 174.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -55.86 -49.22 73.94 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.342 1.057 . . . . 0.0 113.67 174.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -57.49 -7.33 0.6 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 125.399 1.48 . . . . 0.0 114.632 176.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 17.6 mt -117.82 -28.86 5.84 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 126.009 1.724 . . . . 0.0 110.215 -173.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -55.35 -38.59 68.97 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 119.866 1.212 . . . . 0.0 112.119 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -53.71 -39.39 65.17 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.595 1.558 . . . . 0.0 114.805 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -113.0 -35.09 5.53 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.242 1.417 . . . . 0.0 111.605 -172.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -105.26 -10.3 17.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.405 1.482 . . . . 0.0 114.387 -171.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.36 136.02 47.1 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.547 1.07 . . . . 0.0 112.356 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.642 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -65.5 -41.21 93.48 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.547 1.173 . . . . 0.0 110.965 172.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 C-N-CA 129.445 3.402 . . . . 0.0 117.161 -169.318 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 111.421 0.156 . . . . 0.0 111.421 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.1 m -58.5 137.11 57.59 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.056 1.343 . . . . 0.0 112.225 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 16.3 m -69.45 -14.85 63.1 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 115.58 1.696 . . . . 0.0 115.58 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -122.27 158.95 28.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.753 1.221 . . . . 0.0 113.708 -169.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -51.57 159.23 0.78 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.498 3.119 . . . . 0.0 114.622 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -19.8 58.97 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.326 1.973 . . . . 0.0 116.326 -178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 116.491 2.034 . . . . 0.0 116.491 173.747 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.578 HD13 ' N ' ' B' ' 384' ' ' MET . 3.2 tm? -65.92 133.98 52.03 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.809 1.186 . . . . 0.0 112.998 -171.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . 0.578 ' N ' HD13 ' B' ' 383' ' ' LEU . 5.3 tpt -162.06 164.81 27.94 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.431 1.892 . . . . 0.0 110.494 166.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . 0.525 ' CZ ' HD11 ' B' ' 383' ' ' LEU . 24.3 m-85 -135.01 163.4 29.95 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.738 1.615 . . . . 0.0 113.369 -169.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -134.92 23.95 3.59 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 126.456 1.902 . . . . 0.0 112.362 170.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.632 2.373 . . . . 0.0 113.58 -177.838 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 112.582 -0.207 . . . . 0.0 112.582 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -150.04 157.26 42.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.263 1.425 . . . . 0.0 111.918 -179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 94.6 mtp -143.15 145.02 32.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.801 1.641 . . . . 0.0 110.846 179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -71.32 164.46 25.68 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.023 0.916 . . . . 0.0 113.096 179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.4 p -67.58 60.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 129.002 2.921 . . . . 0.0 115.876 -174.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 68.57 -51.89 0.56 Allowed 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 127.351 2.261 . . . . 0.0 112.325 -174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.6 t -61.98 110.02 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 C-N-CA 127.47 2.308 . . . . 0.0 110.573 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.88 -24.41 9.5 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 126.156 1.836 . . . . 0.0 113.98 -176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 48.5 mt -71.79 135.15 46.59 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 113.577 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.78 126.49 30.78 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.755 1.222 . . . . 0.0 109.66 168.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 14.9 m -148.69 178.75 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.018 1.727 . . . . 0.0 109.526 -170.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.9 t -121.76 133.34 68.48 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 O-C-N 120.791 -1.193 . . . . 0.0 109.12 173.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.498 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -132.48 160.59 36.03 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 125.002 1.321 . . . . 0.0 112.71 -169.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.5 tttt -84.17 132.07 34.71 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 121.783 -0.573 . . . . 0.0 110.644 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 17.1 t-105 -85.01 97.93 10.11 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 166.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 49.2 p -60.5 -27.75 67.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.196 1.398 . . . . 0.0 114.345 -170.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 59.3 m -74.13 0.03 15.2 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 178.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -142.48 -51.07 0.38 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 115.227 1.565 . . . . 0.0 115.227 169.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.02 -23.51 1.27 Allowed Glycine 0 N--CA 1.479 1.515 0 N-CA-C 118.946 2.339 . . . . 0.0 118.946 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -105.71 172.36 6.84 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-N 120.542 2.171 . . . . 0.0 111.514 -170.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -112.72 131.79 55.5 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.97 0.908 . . . . 0.0 111.293 -169.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -133.74 148.66 51.43 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.575 1.55 . . . . 0.0 110.26 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.3 p -76.54 152.24 36.08 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.798 -1.189 . . . . 0.0 112.572 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.44 -170.02 37.86 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 123.782 0.706 . . . . 0.0 113.477 -175.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 137.75 53.5 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.612 1.165 . . . . 0.0 110.024 176.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.62 121.32 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.8 p -99.53 -26.42 14.11 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.117 0.967 . . . . 0.0 112.938 -176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.88 136.57 1.16 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.521 1.528 . . . . 0.0 112.777 176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.69 103.21 0.66 Allowed 'General case' 0 N--CA 1.471 0.62 0 O-C-N 120.749 -1.22 . . . . 0.0 109.894 166.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.57 -51.96 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.699 0.8 . . . . 0.0 109.001 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.62 163.75 12.08 Favored Glycine 0 CA--C 1.523 0.582 0 C-N-CA 125.552 1.548 . . . . 0.0 111.035 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.37 4.14 0.13 Allowed 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 172.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 125.03 -15.33 7.38 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 126.248 1.88 . . . . 0.0 113.492 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -80.02 136.68 36.64 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 119.969 1.884 . . . . 0.0 109.397 172.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -123.79 137.43 54.68 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.566 1.546 . . . . 0.0 109.645 173.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -73.13 123.2 23.15 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.983 2.113 . . . . 0.0 109.202 174.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.07 113.25 19.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.989 1.316 . . . . 0.0 112.996 -173.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 46.0 tp -84.26 100.06 10.97 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.788 1.635 . . . . 0.0 109.904 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -66.86 150.45 49.16 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.488 1.115 . . . . 0.0 112.039 174.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -65.77 -21.16 66.48 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.758 1.021 . . . . 0.0 113.758 -178.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -73.61 -4.7 35.78 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 108.42 -3.53 32.85 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 126.426 1.965 . . . . 0.0 114.364 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -87.01 156.82 19.61 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.742 1.617 . . . . 0.0 112.753 -171.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -137.41 134.21 35.63 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 176.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 46.4 t -153.14 163.55 39.67 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.096 1.359 . . . . 0.0 110.287 169.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -74.98 139.85 43.23 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.516 1.127 . . . . 0.0 109.977 169.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 70.4 t -139.21 135.09 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 125.092 1.357 . . . . 0.0 108.838 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -70.57 148.9 47.66 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 121.008 -1.057 . . . . 0.0 112.167 176.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.45 -36.38 46.63 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.389 0.995 . . . . 0.0 115.194 -176.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.578 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.58 -29.26 69.07 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.998 -0.707 . . . . 0.0 112.289 176.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 -93.77 18.61 9.98 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.284 1.833 . . . . 0.0 113.688 -178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.498 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.5 136.03 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 120.722 -1.236 . . . . 0.0 109.759 179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 70.9 mt -121.04 113.54 20.21 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 127.789 2.435 . . . . 0.0 109.008 -169.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.553 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.95 2.55 15.07 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -167.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 27.7 t -124.59 42.51 3.24 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 175.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.6 t0 -116.21 64.38 2.7 Favored Pre-proline 0 CA--C 1.548 0.876 0 N-CA-C 117.936 2.569 . . . . 0.0 117.936 -164.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.06 124.37 10.89 Favored 'Trans proline' 0 CA--C 1.546 1.106 0 N-CA-C 102.681 -3.623 . . . . 0.0 102.681 159.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.435 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.36 116.2 13.07 Favored Pre-proline 0 N--CA 1.475 0.788 0 O-C-N 121.5 -0.75 . . . . 0.0 110.71 -165.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -65.23 131.44 28.42 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.168 1.912 . . . . 0.0 110.996 -171.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.668 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.52 151.22 13.86 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.467 -1.242 . . . . 0.0 110.031 171.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.1 m-20 68.61 1.36 2.98 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.573 1.949 . . . . 0.0 114.915 -169.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.65 144.56 27.77 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 120.477 1.49 . . . . 0.0 111.309 169.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -83.92 135.7 34.37 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.856 0.862 . . . . 0.0 110.953 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 13.6 m -147.55 154.59 11.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.286 1.434 . . . . 0.0 112.055 -170.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.5 m -91.29 149.58 21.69 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 168.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.47 135.52 47.17 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.247 2.219 . . . . 0.0 110.007 -171.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.83 135.05 55.02 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.432 1.493 . . . . 0.0 111.267 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -105.22 156.41 18.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.871 0.868 . . . . 0.0 111.383 -177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.54 -26.36 68.67 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.656 -0.652 . . . . 0.0 112.539 175.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -80.96 9.81 5.98 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 125.034 1.334 . . . . 0.0 113.262 171.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 82.4 -2.65 1.42 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 129.312 3.045 . . . . 0.0 116.178 169.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -57.94 146.92 30.64 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.244 0.929 . . . . 0.0 112.179 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -138.65 118.55 13.29 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.399 1.08 . . . . 0.0 110.414 176.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 7.2 p -153.64 177.27 11.14 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.431 1.092 . . . . 0.0 112.524 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -121.03 155.54 34.13 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -173.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.31 -159.41 17.38 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 126.556 2.027 . . . . 0.0 110.707 -170.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.9 t -136.03 136.41 49.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 O-C-N 121.246 -1.149 . . . . 0.0 111.306 -169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.1 t -64.94 129.06 28.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.175 -0.61 . . . . 0.0 111.295 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -133.47 8.94 3.97 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.247 1.819 . . . . 0.0 114.149 176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.5 173.88 45.91 Favored Glycine 0 N--CA 1.475 1.259 0 N-CA-C 115.109 0.803 . . . . 0.0 115.109 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.8 m80 -135.45 148.55 49.31 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.953 2.101 . . . . 0.0 111.472 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.9 ttt180 -143.66 149.96 38.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.146 1.378 . . . . 0.0 109.583 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -123.81 138.1 54.56 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.532 1.533 . . . . 0.0 108.846 170.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -140.02 101.02 4.07 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.932 0.893 . . . . 0.0 109.773 -169.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 64.5 m 58.15 -40.33 0.05 Allowed 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 129.121 2.968 . . . . 0.0 117.334 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -178.39 21.25 0.04 OUTLIER Glycine 0 CA--C 1.537 1.438 0 C-N-CA 127.324 2.393 . . . . 0.0 113.536 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -141.92 164.4 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.372 1.586 . . . . 0.0 111.489 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -115.71 142.95 46.06 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.435 1.094 . . . . 0.0 113.821 -165.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -132.61 158.05 43.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 127.009 2.123 . . . . 0.0 112.434 -173.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.435 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.3 m-85 -135.5 124.21 23.81 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 126.829 2.052 . . . . 0.0 108.754 -176.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.0 t -80.0 116.61 20.23 Favored 'General case' 0 CA--C 1.515 -0.402 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 169.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.8 mm -102.62 128.69 55.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -85.67 99.26 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 106.795 -1.558 . . . . 0.0 106.795 169.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -119.72 124.73 46.94 Favored 'General case' 0 CA--C 1.519 -0.228 0 C-N-CA 124.882 1.273 . . . . 0.0 109.711 -172.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 54.12 24.84 5.12 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.163 0.985 . . . . 0.0 113.136 -172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.37 16.36 53.24 Favored Glycine 0 CA--C 1.54 1.625 0 C-N-CA 125.153 1.359 . . . . 0.0 115.14 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -128.04 120.0 26.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.121 1.368 . . . . 0.0 110.471 -169.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -80.01 105.34 11.21 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 119.121 0.873 . . . . 0.0 109.134 179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.36 133.73 48.71 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.743 1.617 . . . . 0.0 111.046 -167.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.5 m95 -78.97 122.9 26.74 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 121.705 -0.622 . . . . 0.0 111.912 -177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -124.37 155.77 38.21 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.057 1.343 . . . . 0.0 111.071 171.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -79.02 158.73 27.85 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.003 0.921 . . . . 0.0 111.164 -177.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -43.07 -56.42 3.37 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 124.6 1.16 . . . . 0.0 111.857 168.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 27.5 ptm -72.32 -15.39 61.88 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.39 -6.21 50.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.661 0.784 . . . . 0.0 112.272 175.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.1 t -109.75 110.21 31.26 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 124.973 1.309 . . . . 0.0 108.394 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.4 pt -118.32 149.07 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.427 1.091 . . . . 0.0 110.507 -169.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 16.5 mt -114.82 137.08 52.37 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.318 1.447 . . . . 0.0 109.627 -169.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.12 161.6 28.75 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.976 -1.078 . . . . 0.0 109.737 168.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -55.9 -36.67 67.93 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -75.6 -33.12 60.53 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.16 -0.962 . . . . 0.0 111.014 -175.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -68.58 -50.76 49.18 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.569 0.748 . . . . 0.0 109.724 171.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.34 -29.44 68.99 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 124.925 1.25 . . . . 0.0 114.501 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -56.58 -42.44 78.65 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.253 1.526 . . . . 0.0 112.989 170.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -55.81 -25.16 40.29 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 120.02 1.282 . . . . 0.0 112.66 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 7.6 mp -94.23 -32.57 13.62 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.236 1.414 . . . . 0.0 111.598 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.7 ttp85 -52.4 -39.17 60.56 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.79 2.036 . . . . 0.0 113.002 -174.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -54.47 -33.13 59.1 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 115.202 1.556 . . . . 0.0 115.202 175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -111.85 -34.07 6.12 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 125.524 1.529 . . . . 0.0 111.276 -172.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -104.41 -11.3 17.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.724 1.379 . . . . 0.0 114.724 -170.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -60.1 140.6 47.97 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 124.568 1.08 . . . . 0.0 113.696 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.553 HD22 HD23 ' A' 1534 ' ' LEU . 2.1 mt -70.71 -40.08 73.06 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 118.983 1.392 . . . . 0.0 111.634 175.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.252 0 C-N-CA 126.657 2.075 . . . . 0.0 112.342 -169.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.1 m . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 90.0 m -53.21 -42.2 66.08 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.07 1.748 . . . . 0.0 115.068 -173.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 23.0 m -77.92 66.62 3.61 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.99 1.107 . . . . 0.0 113.99 -169.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -143.73 150.51 38.74 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.212 1.005 . . . . 0.0 112.156 169.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.427 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 55.7 t60 -64.24 171.23 3.16 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.517 1.127 . . . . 0.0 113.241 -176.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . 0.427 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 62.1 mttm -52.95 -31.02 38.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.188 1.795 . . . . 0.0 115.568 -171.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.681 0 C-N-CA 125.203 1.401 . . . . 0.0 113.581 174.788 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 5.2 tt -63.79 137.86 58.23 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.55 1.14 . . . . 0.0 113.1 -175.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.9 tpt -167.67 153.5 7.46 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.299 2.24 . . . . 0.0 109.247 166.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -108.69 110.56 22.01 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -168.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 73.6 tttt -133.95 23.25 3.88 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.641 2.376 . . . . 0.0 110.145 168.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 C--O 1.254 1.29 0 C-N-CA 129.896 3.278 . . . . 0.0 113.106 -170.067 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.063 0 N-CA-C 112.641 -0.183 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -127.87 6.32 6.07 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.783 1.233 . . . . 0.0 114.256 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? -152.9 160.4 43.05 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.248 1.419 . . . . 0.0 112.648 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 35.9 t30 -81.07 167.17 20.05 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.898 0.856 . . . . 0.0 112.852 173.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.2 p -67.5 61.45 0.06 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 129.104 2.962 . . . . 0.0 115.672 -175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.32 -52.13 0.55 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.958 2.103 . . . . 0.0 112.191 -173.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 14.1 t -61.33 109.11 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 C-N-CA 127.473 2.309 . . . . 0.0 110.633 -176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.91 -24.64 7.83 Favored Glycine 0 CA--C 1.541 1.681 0 C-N-CA 126.238 1.875 . . . . 0.0 113.603 -176.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 47.8 mt -74.48 133.59 42.34 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.196 1.398 . . . . 0.0 113.798 -175.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 78.3 mtt85 -74.19 130.34 39.57 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.172 0.989 . . . . 0.0 109.088 166.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.8 m -152.06 -179.15 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 C-N-CA 126.229 1.812 . . . . 0.0 109.755 -171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -122.34 139.21 49.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 O-C-N 120.511 -1.368 . . . . 0.0 109.093 171.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.415 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.91 159.97 40.28 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 124.801 1.24 . . . . 0.0 111.995 -170.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.8 tttt -84.11 128.82 34.81 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 171.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -78.15 100.22 6.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 167.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.2 p -57.7 -29.3 64.58 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -169.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 60.9 m -78.33 -6.82 56.23 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.262 1.578 . . . . 0.0 115.262 -177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.4 -13.03 0.4 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 124.65 -25.95 5.8 Favored Glycine 0 N--CA 1.481 1.658 0 N-CA-C 120.259 2.864 . . . . 0.0 120.259 165.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -106.94 172.5 6.79 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.673 2.236 . . . . 0.0 111.796 -170.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -112.93 131.56 55.69 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.624 0.77 . . . . 0.0 111.114 -169.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -133.31 150.82 51.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.574 1.549 . . . . 0.0 109.712 -171.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 77.7 p -77.48 151.21 34.74 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.984 -1.072 . . . . 0.0 112.388 -177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.67 -170.32 36.29 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 123.883 0.754 . . . . 0.0 113.701 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.64 137.33 52.5 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.829 1.252 . . . . 0.0 109.792 176.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -69.21 120.76 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 171.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -99.91 -26.4 14.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.117 0.967 . . . . 0.0 113.089 -175.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.99 136.34 1.09 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 125.919 1.688 . . . . 0.0 112.816 175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.6 t0 -64.27 103.13 0.59 Allowed 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.838 -1.164 . . . . 0.0 110.51 167.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.7 t -59.37 -51.78 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 123.892 0.877 . . . . 0.0 109.733 -176.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.66 168.19 13.45 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 126.306 1.907 . . . . 0.0 110.906 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.69 2.21 0.34 Allowed 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 116.61 2.078 . . . . 0.0 116.61 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.0 -9.67 29.42 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.688 1.614 . . . . 0.0 112.982 -169.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -79.31 135.64 36.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 120.506 2.153 . . . . 0.0 109.376 171.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -122.23 136.49 54.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.709 1.604 . . . . 0.0 109.155 173.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.26 123.59 23.29 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 126.839 2.055 . . . . 0.0 109.123 174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.434 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -122.74 112.98 18.58 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.015 1.326 . . . . 0.0 112.783 -173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 57.0 tp -84.05 100.47 11.1 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.347 1.459 . . . . 0.0 108.975 168.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -63.36 150.29 43.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.686 0.795 . . . . 0.0 111.301 171.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -59.75 -25.58 64.99 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.5 p-10 -78.68 -7.39 57.64 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.212 1.805 . . . . 0.0 114.387 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.45 -1.72 30.89 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 125.902 1.715 . . . . 0.0 114.27 170.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.8 m-85 -78.67 151.51 32.19 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.35 1.46 . . . . 0.0 111.166 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -133.58 136.03 44.66 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.348 -0.845 . . . . 0.0 111.73 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 159.72 43.72 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.384 1.074 . . . . 0.0 110.954 171.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -79.51 137.09 37.07 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 107.867 168.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 52.9 t -136.12 131.18 49.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.323 1.049 . . . . 0.0 108.271 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.42 147.23 53.59 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.133 -0.979 . . . . 0.0 111.305 175.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -59.09 -30.48 67.07 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 121.443 -0.786 . . . . 0.0 114.368 -174.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.669 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.47 -22.86 63.96 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.745 1.218 . . . . 0.0 112.726 173.098 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 41.3 m-20 -102.46 19.59 18.63 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.553 1.941 . . . . 0.0 113.611 179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.434 HD13 HD21 ' A' 1517 ' ' LEU . 0.4 OUTLIER -136.16 139.12 46.24 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 O-C-N 120.819 -1.176 . . . . 0.0 110.229 179.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 60.8 mt -123.59 117.55 25.31 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.76 2.424 . . . . 0.0 108.538 -169.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.495 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.82 5.09 10.96 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -168.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 44.3 t -122.52 44.4 2.64 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 170.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -97.71 16.75 0.05 OUTLIER Pre-proline 0 CA--C 1.546 0.79 1 N-CA-C 124.185 4.883 . . . . 0.0 124.185 -160.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -54.66 126.67 23.16 Favored 'Trans proline' 0 CA--C 1.541 0.837 0 CA-C-N 124.394 2.605 . . . . 0.0 107.272 166.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.44 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -59.35 120.02 44.49 Favored Pre-proline 0 CA--C 1.545 0.755 0 CA-C-O 119.035 -0.507 . . . . 0.0 109.915 -166.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.45 129.28 23.43 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 121.834 1.689 . . . . 0.0 110.446 -178.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.711 ' H ' HD12 ' A' 1540 ' ' LEU . 2.3 mp -56.91 152.24 13.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 114.287 -1.324 . . . . 0.0 109.795 171.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.6 m-20 68.26 -0.37 2.19 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.532 1.933 . . . . 0.0 114.952 -169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.65 150.3 25.97 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.667 1.576 . . . . 0.0 111.381 169.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -89.75 136.13 33.22 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.162 0.985 . . . . 0.0 110.568 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.5 m -148.13 158.8 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 125.393 1.477 . . . . 0.0 111.584 -169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.6 m -95.7 135.23 37.65 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -105.04 148.69 26.5 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.893 1.677 . . . . 0.0 110.842 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.9 mt -128.04 133.03 49.06 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.255 1.822 . . . . 0.0 111.518 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.6 m -105.37 152.62 22.73 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.317 1.047 . . . . 0.0 110.8 -177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -64.09 -22.4 66.92 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -81.88 3.24 26.9 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 125.233 1.413 . . . . 0.0 113.505 172.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 99.06 -15.34 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.986 1 C-N-CA 132.532 4.333 . . . . 0.0 114.452 170.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -58.0 144.62 39.03 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 119.928 1.24 . . . . 0.0 112.994 -172.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -135.16 125.07 25.6 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.889 0.852 . . . . 0.0 111.669 175.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.9 p -153.28 172.17 17.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.987 1.315 . . . . 0.0 111.024 -179.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -118.74 151.76 37.41 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 120.926 -1.109 . . . . 0.0 113.905 -174.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.46 -162.95 21.58 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.4 1.952 . . . . 0.0 110.743 -169.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.0 t -135.28 134.62 52.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 O-C-N 121.676 -0.897 . . . . 0.0 111.872 -169.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.7 t -64.14 130.24 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 C-N-CA 120.347 -0.541 . . . . 0.0 111.364 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.8 mttt -134.56 13.63 3.75 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 125.503 1.521 . . . . 0.0 114.749 171.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.93 174.88 46.45 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 115.407 0.923 . . . . 0.0 115.407 171.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -137.45 150.7 47.8 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.978 2.111 . . . . 0.0 111.456 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -145.54 150.22 36.02 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.37 1.468 . . . . 0.0 110.027 173.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -127.85 132.99 49.35 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.23 1.412 . . . . 0.0 109.358 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -136.0 99.83 4.26 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.908 0.385 . . . . 0.0 110.998 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.2 m 45.57 33.23 1.32 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 115.86 1.8 . . . . 0.0 115.86 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 107.83 17.5 11.01 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.807 1.194 . . . . 0.0 115.374 -176.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.54 152.19 50.96 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.996 1.718 . . . . 0.0 109.997 -177.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 48.0 tp -123.22 129.76 51.82 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.714 1.205 . . . . 0.0 112.027 -171.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -123.24 158.6 30.52 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 127.339 2.256 . . . . 0.0 112.695 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.44 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.8 m-85 -135.03 126.34 28.3 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 126.25 1.82 . . . . 0.0 109.256 -177.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 29.3 t -82.77 115.67 21.78 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.0 130.98 50.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 124.447 1.099 . . . . 0.0 108.263 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -86.22 104.07 15.43 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 168.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -123.06 126.98 48.11 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 124.501 1.12 . . . . 0.0 110.002 -176.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 56.51 23.37 7.48 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 123.991 0.916 . . . . 0.0 112.582 -176.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.95 16.8 50.08 Favored Glycine 0 CA--C 1.54 1.638 0 C-N-CA 125.085 1.326 . . . . 0.0 115.288 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -129.18 124.5 34.79 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.932 1.293 . . . . 0.0 111.061 -169.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -78.7 110.38 13.8 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 119.378 0.99 . . . . 0.0 108.712 174.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -131.91 132.12 43.31 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.503 1.521 . . . . 0.0 110.311 -168.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.2 m95 -78.6 126.49 30.81 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.631 -0.668 . . . . 0.0 112.067 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -127.11 157.15 40.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.574 1.55 . . . . 0.0 111.224 169.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 77.0 mttt -81.34 158.39 24.72 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.809 1.243 . . . . 0.0 109.835 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 26.4 ttp-105 -41.88 -60.26 1.45 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 119.732 1.151 . . . . 0.0 113.027 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 25.3 ptm -69.68 -13.26 62.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -97.62 -1.4 43.84 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.392 1.077 . . . . 0.0 112.481 176.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.4 t -113.79 92.52 2.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 C-N-CA 125.819 1.647 . . . . 0.0 108.025 173.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -96.46 153.91 3.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 124.526 1.13 . . . . 0.0 110.235 -173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.35 135.49 54.29 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.029 1.332 . . . . 0.0 109.044 -174.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.7 p -67.35 164.23 18.98 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 121.296 -0.877 . . . . 0.0 109.925 168.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.7 pp -55.76 -36.2 67.06 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 169.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -74.54 -35.63 63.11 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.331 -0.856 . . . . 0.0 110.701 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -68.29 -51.36 45.74 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 123.027 0.531 . . . . 0.0 110.264 171.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.18 -30.71 64.48 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 124.689 1.137 . . . . 0.0 113.509 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -57.22 -45.99 83.36 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.403 -1.645 . . . . 0.0 113.416 170.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . 0.282 0.1 OUTLIER -67.79 -4.82 13.64 Favored 'General case' 0 N--CA 1.486 1.357 0 CA-C-N 120.55 1.523 . . . . 0.0 114.25 177.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -99.22 -34.83 10.19 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.7 1.6 . . . . 0.0 110.477 167.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -52.26 -39.24 60.11 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.119 2.168 . . . . 0.0 112.798 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -51.16 -36.37 40.67 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 125.216 1.407 . . . . 0.0 114.747 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -113.59 -31.12 6.6 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.095 1.358 . . . . 0.0 112.061 -174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 7.7 m-30 -105.33 -9.42 17.62 Favored 'General case' 0 N--CA 1.481 1.093 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -170.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -63.46 140.7 45.0 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 124.005 0.812 . . . . 0.0 113.769 -173.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.495 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -73.33 -53.27 11.2 Favored 'General case' 0 N--CA 1.479 0.982 0 CA-C-N 118.762 1.281 . . . . 0.0 111.027 176.146 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.216 0 CA-C-N 111.752 -2.476 . . . . 0.0 114.496 -168.107 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 9.8 t -148.99 165.65 30.99 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 125.286 1.434 . . . . 0.0 111.329 173.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.3 m -77.19 7.59 4.94 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 19.9 mtm105 -137.96 167.94 20.74 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.868 2.067 . . . . 0.0 113.329 -168.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 32.7 t-80 -59.81 156.17 14.69 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.348 1.059 . . . . 0.0 112.239 169.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -65.9 29.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 118.526 2.788 . . . . 0.0 118.526 -167.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.677 0 N-CA-C 115.806 1.78 . . . . 0.0 115.806 -173.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.13 174.15 6.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 118.589 2.811 . . . . 0.0 118.589 -162.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 5.7 tpt -175.19 92.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 129.417 3.087 . . . . 0.0 109.011 168.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -67.21 164.37 18.35 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -169.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -140.76 39.24 1.83 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.213 1.805 . . . . 0.0 110.858 172.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.252 1.232 0 C-N-CA 126.143 1.777 . . . . 0.0 113.403 -176.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.991 0 N-CA-C 112.841 -0.104 . . . . 0.0 112.841 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -127.52 5.48 6.22 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.709 1.204 . . . . 0.0 114.117 -172.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 28.1 ptm -152.25 178.7 9.23 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.222 1.409 . . . . 0.0 112.333 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.0 t30 -137.15 170.44 16.09 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.415 1.486 . . . . 0.0 111.365 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.09 65.26 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 128.804 2.842 . . . . 0.0 114.747 -176.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 67.08 -57.15 0.43 Allowed 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.461 2.305 . . . . 0.0 112.05 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 19.1 t -47.86 99.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.23 3.012 . . . . 0.0 111.405 175.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 127.57 -22.31 5.55 Favored Glycine 0 CA--C 1.54 1.624 0 C-N-CA 125.332 1.444 . . . . 0.0 114.178 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.4 mp -76.63 138.63 40.2 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.254 1.421 . . . . 0.0 112.321 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -77.58 130.05 36.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.87 0.868 . . . . 0.0 109.489 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.9 m -151.37 174.27 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.957 1.703 . . . . 0.0 109.255 -171.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -116.2 133.68 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 O-C-N 120.983 -1.073 . . . . 0.0 108.591 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -132.26 159.63 38.52 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.26 1.424 . . . . 0.0 112.291 -168.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.7 tttt -83.95 130.35 34.9 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 122.051 -0.406 . . . . 0.0 110.761 170.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -84.77 109.92 18.42 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 166.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -59.47 -37.99 79.63 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.6 m -73.94 -15.48 61.12 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 16.6 m120 -134.31 -14.68 2.27 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 108.84 -13.61 34.82 Favored Glycine 0 N--CA 1.478 1.44 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 165.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -107.11 171.74 7.21 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 120.868 2.334 . . . . 0.0 112.242 -173.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 5.4 m-30 -112.12 130.15 55.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.0 0.92 . . . . 0.0 110.982 -171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -135.29 150.92 50.12 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.789 1.236 . . . . 0.0 110.169 -169.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 82.4 p -76.29 152.39 36.47 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 121.192 -0.943 . . . . 0.0 111.969 -176.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.28 -165.18 31.6 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 123.378 0.513 . . . . 0.0 113.938 -176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.25 138.92 48.07 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.251 1.42 . . . . 0.0 110.176 177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.98 125.28 25.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 169.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -106.53 -26.42 11.41 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.855 0.862 . . . . 0.0 112.533 -176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.81 162.23 23.65 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 126.191 1.797 . . . . 0.0 111.211 176.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.5 t0 -98.42 101.59 13.08 Favored 'General case' 0 C--N 1.323 -0.543 0 C-N-CA 125.737 1.615 . . . . 0.0 107.929 173.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.5 t -59.54 -49.94 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 123.204 0.602 . . . . 0.0 110.2 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.91 167.31 12.51 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 126.278 1.894 . . . . 0.0 110.99 174.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.76 -1.78 0.22 Allowed 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 116.87 2.174 . . . . 0.0 116.87 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.75 -8.82 21.72 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.774 1.654 . . . . 0.0 112.883 -169.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -79.47 134.08 36.52 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 119.985 1.893 . . . . 0.0 109.213 170.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -120.48 138.39 53.84 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.788 1.635 . . . . 0.0 109.22 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -71.55 122.38 20.38 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.023 1.729 . . . . 0.0 109.099 174.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.41 114.13 20.85 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.243 1.417 . . . . 0.0 111.951 -174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.5 tp -84.36 108.1 17.01 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 125.327 1.451 . . . . 0.0 109.57 168.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -72.05 154.41 41.14 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 124.24 1.016 . . . . 0.0 111.805 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -65.05 -20.35 66.44 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.73 -0.46 30.35 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 170.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.27 -1.73 50.54 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.748 1.642 . . . . 0.0 114.953 170.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -83.7 154.21 23.77 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.673 1.589 . . . . 0.0 111.894 -175.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -136.06 134.46 38.46 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.707 0.803 . . . . 0.0 112.057 176.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 45.2 t -152.47 166.95 30.37 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.946 1.298 . . . . 0.0 110.787 170.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -84.52 126.28 33.15 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.985 2.114 . . . . 0.0 109.005 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 60.8 t -129.03 130.84 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 124.376 1.07 . . . . 0.0 108.81 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 6.2 mt -68.25 149.36 49.58 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.415 -0.803 . . . . 0.0 112.289 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.69 -40.12 40.08 Favored Glycine 0 CA--C 1.53 0.974 0 C-N-CA 124.354 0.978 . . . . 0.0 114.351 -178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.567 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -57.82 -30.02 65.39 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 175.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.77 20.01 9.29 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.756 2.022 . . . . 0.0 114.033 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.404 HD12 HD11 ' A' 1602 ' ' LEU . 0.0 OUTLIER -136.69 137.6 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 O-C-N 120.801 -1.187 . . . . 0.0 109.709 178.288 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -122.9 112.55 17.99 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 127.516 2.326 . . . . 0.0 109.823 -168.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.497 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.05 2.48 15.73 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -168.609 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 55.7 m -123.38 36.1 4.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.815 1.246 . . . . 0.0 109.345 174.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.53 57.96 0.44 Allowed Pre-proline 0 CA--C 1.549 0.936 0 N-CA-C 117.559 2.429 . . . . 0.0 117.559 -167.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -66.85 121.32 8.5 Favored 'Trans proline' 0 CA--C 1.544 1.004 0 N-CA-C 102.3 -3.769 . . . . 0.0 102.3 160.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.428 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 6.9 mm -57.31 114.56 8.43 Favored Pre-proline 0 CA--C 1.545 0.757 0 O-C-N 121.855 -0.528 . . . . 0.0 111.331 -163.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -64.72 134.11 39.39 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 121.785 1.656 . . . . 0.0 110.997 -170.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.642 ' H ' HD12 ' A' 1540 ' ' LEU . 3.6 mp -57.69 151.69 16.9 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.198 -1.364 . . . . 0.0 110.125 171.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 43.9 m-20 67.41 0.84 2.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.644 1.978 . . . . 0.0 114.766 -169.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.66 146.92 27.21 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.535 1.516 . . . . 0.0 111.083 169.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -90.45 133.06 35.28 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.465 1.106 . . . . 0.0 110.206 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.7 160.69 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.537 1.535 . . . . 0.0 112.001 -168.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 4.2 m -90.83 145.89 24.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 167.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -124.73 148.79 47.86 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.997 2.119 . . . . 0.0 109.852 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.11 132.83 50.5 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.238 1.415 . . . . 0.0 111.205 -179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 37.3 m -104.4 159.74 15.48 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 122.29 1.043 . . . . 0.0 112.634 -168.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -61.6 -24.67 66.84 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.451 1.5 . . . . 0.0 112.758 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -91.65 12.42 21.17 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 125.965 1.706 . . . . 0.0 113.23 172.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 84.2 -6.77 1.04 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 130.023 3.329 . . . . 0.0 116.32 169.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -58.89 154.41 15.23 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.807 1.185 . . . . 0.0 112.981 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -133.64 131.02 39.08 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.567 0.747 . . . . 0.0 111.018 168.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 34.7 p -152.62 177.31 10.8 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.348 1.459 . . . . 0.0 111.58 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -123.38 153.85 39.79 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.124 1.329 . . . . 0.0 114.42 -176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.15 -160.07 17.58 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 127.276 2.369 . . . . 0.0 110.571 -169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 47.7 t -135.42 136.62 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.132 -1.216 . . . . 0.0 111.518 -169.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 40.4 t -64.68 129.78 29.09 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 C-N-CA 120.448 -0.501 . . . . 0.0 111.387 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -134.88 9.03 3.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.61 1.964 . . . . 0.0 114.333 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.92 174.02 46.5 Favored Glycine 0 N--CA 1.475 1.236 0 O-C-N 121.287 -0.883 . . . . 0.0 115.19 174.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 7.9 m80 -134.86 147.44 49.88 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 127.188 2.195 . . . . 0.0 111.853 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -145.52 158.48 43.84 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.449 1.5 . . . . 0.0 110.033 176.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -129.43 119.36 23.67 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.891 1.676 . . . . 0.0 108.812 173.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -140.81 132.38 27.07 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.871 0.468 . . . . 0.0 111.149 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.9 m 47.6 33.66 3.11 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 76.75 32.41 50.32 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.173 0.892 . . . . 0.0 114.513 -177.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -141.2 151.6 43.92 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 125.492 1.517 . . . . 0.0 109.217 -177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.46 144.82 24.99 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 122.601 1.191 . . . . 0.0 110.841 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -136.07 155.6 49.96 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 126.491 1.916 . . . . 0.0 110.86 -174.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.428 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -134.05 124.14 25.7 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 125.682 1.593 . . . . 0.0 108.335 -176.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 31.3 t -78.9 114.61 17.99 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 105.849 -1.908 . . . . 0.0 105.849 168.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.7 mm -101.78 130.85 50.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 175.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -86.24 109.47 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 107.346 -1.353 . . . . 0.0 107.346 169.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.97 116.34 19.92 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.74 1.216 . . . . 0.0 108.509 -170.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 51.94 33.02 10.88 Favored 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 125.269 1.428 . . . . 0.0 112.755 -168.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.73 9.51 64.24 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.586 1.088 . . . . 0.0 115.004 178.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -116.32 120.01 37.54 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.083 1.353 . . . . 0.0 110.349 -171.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -78.66 106.82 10.9 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -127.7 133.23 49.57 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.518 1.527 . . . . 0.0 109.772 -168.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.94 125.75 29.78 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.417 0.627 . . . . 0.0 111.582 -179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -127.06 153.52 45.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.987 1.315 . . . . 0.0 110.905 173.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 88.9 mttt -75.81 155.56 35.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.976 0.91 . . . . 0.0 110.285 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -41.58 -57.47 2.25 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.665 1.186 . . . . 0.0 111.653 168.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.4 ptm -74.02 -14.64 61.04 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.22 -7.36 55.69 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.571 0.748 . . . . 0.0 111.77 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 94.8 t -105.91 106.98 21.57 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 C-N-CA 124.808 1.243 . . . . 0.0 108.87 174.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -118.35 150.93 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 124.829 1.252 . . . . 0.0 109.603 -170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 10.9 mt -117.21 136.99 52.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.021 1.328 . . . . 0.0 109.148 -169.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.9 p -67.33 162.87 21.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 119.471 -0.892 . . . . 0.0 108.982 167.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -54.84 -35.53 64.08 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 170.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -81.08 -34.06 32.94 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 121.585 -0.697 . . . . 0.0 111.608 -172.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -67.69 -43.5 79.97 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.646 0.779 . . . . 0.0 109.901 169.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.43 -29.72 75.89 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 125.518 1.532 . . . . 0.0 114.572 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -60.36 -39.83 88.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.108 -1.231 . . . . 0.0 110.951 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.56 -17.38 32.11 Favored 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 123.892 0.877 . . . . 0.0 112.685 176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . 0.439 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 6.1 mt -98.34 -36.25 10.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.339 1.855 . . . . 0.0 110.795 178.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -51.27 -38.86 55.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.057 2.143 . . . . 0.0 113.818 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -53.55 -34.55 58.63 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.59 -32.61 6.4 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 125.458 1.503 . . . . 0.0 111.628 -173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 8.2 m-30 -105.33 -10.07 17.23 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -170.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.27 140.8 46.39 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.176 0.894 . . . . 0.0 112.796 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.497 HD22 HD23 ' A' 1534 ' ' LEU . 1.3 mt -71.42 -35.79 71.08 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 118.883 1.342 . . . . 0.0 111.616 174.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.268 0 C-N-CA 126.82 2.153 . . . . 0.0 114.611 -169.16 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 37.9 p . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 41.7 p -93.81 -30.19 14.96 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.648 1.721 . . . . 0.0 115.648 -169.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 73.2 p -147.88 22.42 1.11 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -164.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.42 151.28 49.56 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 119.772 1.169 . . . . 0.0 112.283 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -70.35 179.01 2.61 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 -167.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 59.5 mttm -58.66 -37.49 76.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 127.245 2.218 . . . . 0.0 113.035 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.484 0 C-N-CA 126.116 1.767 . . . . 0.0 112.36 179.368 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.519 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.8 tm? -52.08 120.06 5.01 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.86 0.864 . . . . 0.0 111.536 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.7 tpt -165.36 164.35 19.75 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.854 2.062 . . . . 0.0 109.98 168.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -131.39 157.02 44.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.307 1.443 . . . . 0.0 113.976 -167.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -134.86 26.91 3.62 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.202 1.801 . . . . 0.0 112.206 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.255 1.352 0 C-N-CA 126.633 1.973 . . . . 0.0 111.889 -173.623 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.058 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -150.24 159.37 44.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.517 1.527 . . . . 0.0 111.572 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 78.9 mtm -138.45 -54.57 0.62 Allowed 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.298 1.039 . . . . 0.0 113.155 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 30.3 t30 -155.09 166.33 33.91 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.191 0.997 . . . . 0.0 112.044 176.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.38 59.78 0.13 Allowed 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 128.694 2.798 . . . . 0.0 115.726 -174.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.8 m-85 68.05 -52.16 0.53 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 127.134 2.174 . . . . 0.0 112.457 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.5 t -61.67 111.73 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 127.635 2.374 . . . . 0.0 110.492 -176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 116.23 -25.77 9.09 Favored Glycine 0 CA--C 1.541 1.711 0 C-N-CA 126.478 1.989 . . . . 0.0 113.858 -176.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 51.3 mt -71.03 134.84 47.42 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.233 1.413 . . . . 0.0 113.341 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.2 mtt85 -77.24 126.17 30.51 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.626 1.17 . . . . 0.0 109.321 168.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 13.3 m -148.87 178.61 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.813 1.645 . . . . 0.0 109.433 -170.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -121.84 136.72 57.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.223 0 O-C-N 120.836 -1.165 . . . . 0.0 108.843 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.11 161.96 35.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.149 0.979 . . . . 0.0 112.678 -171.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.7 tttt -85.25 126.09 33.41 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.22 0.608 . . . . 0.0 110.404 172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -77.42 115.32 17.09 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 168.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 58.1 p -60.5 -37.62 81.69 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -168.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 47.1 m -77.88 -11.59 59.91 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -169.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.2 m120 -138.59 -21.86 1.0 Allowed 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -177.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 117.41 -14.81 13.23 Favored Glycine 0 N--CA 1.476 1.33 0 N-CA-C 119.272 2.469 . . . . 0.0 119.272 167.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -106.21 175.49 5.48 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 121.601 2.7 . . . . 0.0 111.795 -171.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.441 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.8 m-85 -116.73 128.6 55.48 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.044 1.337 . . . . 0.0 112.56 -167.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.401 ' HB2' ' CD1' ' A' 1519 ' ' PHE . 75.2 m-85 -133.63 146.9 51.34 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.468 1.507 . . . . 0.0 110.776 -169.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 78.9 p -75.15 148.69 39.41 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.213 -0.929 . . . . 0.0 112.123 178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.41 -169.95 35.66 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.865 0.745 . . . . 0.0 113.289 -174.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.38 138.28 53.54 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.481 1.113 . . . . 0.0 109.656 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.93 121.96 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 170.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.0 p -101.38 -26.81 13.47 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -175.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.74 136.77 1.23 Allowed 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.361 1.464 . . . . 0.0 113.1 175.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 14.5 t0 -64.59 102.61 0.58 Allowed 'General case' 0 N--CA 1.474 0.764 0 O-C-N 120.698 -1.251 . . . . 0.0 110.607 167.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -60.03 -50.71 79.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 C-N-CA 124.359 1.064 . . . . 0.0 110.203 -175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.96 164.47 11.81 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 126.444 1.973 . . . . 0.0 111.567 175.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.77 -3.48 0.15 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.855 2.169 . . . . 0.0 116.855 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 114.86 -5.48 22.39 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.496 1.522 . . . . 0.0 112.564 -169.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.19 135.96 36.95 Favored 'General case' 0 C--N 1.342 0.271 0 CA-C-N 120.497 2.149 . . . . 0.0 108.235 169.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -122.75 137.58 54.88 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.653 1.581 . . . . 0.0 109.314 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -71.39 123.04 21.44 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 127.493 2.317 . . . . 0.0 109.33 174.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.62 113.8 20.27 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.85 1.26 . . . . 0.0 112.853 -175.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 52.1 tp -84.8 102.12 12.8 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 125.1 1.36 . . . . 0.0 109.993 168.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . 0.401 ' CD1' ' HB2' ' A' 1502 ' ' TYR . 86.6 m-85 -66.38 148.28 52.08 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.415 1.086 . . . . 0.0 111.4 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -60.87 -31.51 70.98 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -172.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.84 -11.55 28.41 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.693 1.997 . . . . 0.0 114.173 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.01 -1.04 31.55 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 126.472 1.987 . . . . 0.0 114.62 169.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -83.63 152.16 24.95 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.12 1.368 . . . . 0.0 111.227 -176.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.06 136.67 47.38 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.578 -0.701 . . . . 0.0 112.12 177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -147.72 155.63 41.92 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.166 0.987 . . . . 0.0 111.116 171.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -76.27 140.22 41.47 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 120.986 -1.071 . . . . 0.0 109.03 168.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 53.7 t -141.37 130.17 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.791 1.236 . . . . 0.0 109.187 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.52 147.25 51.88 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.107 -0.996 . . . . 0.0 111.537 173.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.65 -34.82 36.64 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.46 1.029 . . . . 0.0 113.699 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -20.98 59.04 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.939 0.896 . . . . 0.0 113.24 176.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -110.89 21.5 16.41 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 126.656 1.982 . . . . 0.0 113.3 -175.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.666 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -135.07 139.33 47.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 124.55 1.14 . . . . 0.0 108.851 177.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 33.7 mt -123.85 106.0 10.1 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 128.675 2.79 . . . . 0.0 108.103 -168.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.629 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -101.48 -4.13 27.34 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 116.658 2.096 . . . . 0.0 116.658 -167.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.3 p -134.0 44.28 2.75 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 122.085 0.945 . . . . 0.0 109.683 -178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.8 t0 -112.94 59.51 0.64 Allowed Pre-proline 0 CA--C 1.548 0.872 0 C-N-CA 127.683 2.393 . . . . 0.0 115.047 -169.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.91 121.66 9.23 Favored 'Trans proline' 0 CA--C 1.541 0.866 0 N-CA-C 103.146 -3.444 . . . . 0.0 103.146 162.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.461 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 7.4 mm -57.21 114.59 8.45 Favored Pre-proline 0 N--CA 1.473 0.678 0 CA-C-N 118.358 0.527 . . . . 0.0 110.8 -164.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.43 134.65 39.45 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 121.607 1.538 . . . . 0.0 111.017 -172.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' 1540 ' ' LEU . 3.1 mp -57.18 149.71 19.14 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 114.008 -1.451 . . . . 0.0 109.524 170.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 45.1 m-20 70.4 -0.34 2.91 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.87 2.068 . . . . 0.0 115.051 -169.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.54 149.02 26.19 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.32 1.418 . . . . 0.0 111.197 169.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -88.36 139.08 30.85 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 124.072 0.949 . . . . 0.0 110.033 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.0 m -150.66 155.44 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 124.946 1.298 . . . . 0.0 111.829 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.8 m -90.34 136.83 32.81 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 169.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -118.4 141.88 48.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 126.406 1.882 . . . . 0.0 110.293 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.62 132.97 49.7 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.977 1.311 . . . . 0.0 112.89 -174.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.3 m -105.58 154.03 20.96 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.773 0.829 . . . . 0.0 111.234 -175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -63.22 -21.63 66.35 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -80.71 7.59 9.92 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.208 1.403 . . . . 0.0 113.355 170.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 89.94 -13.57 0.31 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 131.292 3.837 . . . . 0.0 115.542 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -53.33 138.11 33.49 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 119.243 0.929 . . . . 0.0 112.516 -175.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -125.49 123.26 38.8 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.818 1.247 . . . . 0.0 109.359 175.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 84.7 p -152.26 177.19 10.81 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.001 1.32 . . . . 0.0 111.266 -172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.44 155.77 47.91 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 120.4 1.455 . . . . 0.0 113.821 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.47 -162.03 23.07 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.617 2.056 . . . . 0.0 110.948 -171.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 57.6 t -133.66 135.5 55.5 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.918 0 O-C-N 121.357 -1.084 . . . . 0.0 111.172 -171.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 38.4 t -63.68 130.98 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.211 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -135.48 7.52 3.32 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 126.449 1.9 . . . . 0.0 114.36 176.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.08 173.58 45.67 Favored Glycine 0 CA--C 1.534 1.227 0 CA-C-N 119.432 1.015 . . . . 0.0 115.0 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.28 146.85 45.2 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.705 2.002 . . . . 0.0 112.429 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 46.7 ttt180 -143.06 149.62 38.45 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.383 1.473 . . . . 0.0 109.762 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -124.36 136.53 54.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.157 1.383 . . . . 0.0 109.012 172.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -140.58 100.92 3.98 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.928 0.891 . . . . 0.0 110.582 -169.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.3 m 46.54 29.18 0.87 Allowed 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.73 14.54 15.35 Favored Glycine 0 CA--C 1.539 1.54 0 N-CA-C 116.053 1.181 . . . . 0.0 116.053 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -138.55 163.44 31.99 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.973 1.887 . . . . 0.0 111.32 175.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.7 tp -115.76 142.92 46.12 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 122.389 1.09 . . . . 0.0 113.425 -166.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -130.18 156.66 44.22 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.001 2.12 . . . . 0.0 112.257 -176.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.461 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.0 m-85 -132.95 124.23 27.41 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 126.037 1.735 . . . . 0.0 108.359 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 45.8 t -78.56 116.03 18.67 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 169.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.8 mm -101.23 131.89 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 107.823 -1.176 . . . . 0.0 107.823 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -85.7 105.16 16.04 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.01 118.62 24.82 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 125.309 1.444 . . . . 0.0 108.443 -168.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 53.28 29.87 9.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.988 1.315 . . . . 0.0 112.867 -168.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.67 14.28 61.6 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.538 1.066 . . . . 0.0 115.12 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.57 119.99 31.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.976 1.311 . . . . 0.0 109.942 -170.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -80.01 105.4 11.26 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 119.173 0.897 . . . . 0.0 108.953 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -128.42 134.73 48.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.229 1.812 . . . . 0.0 110.363 -166.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 81.1 m95 -78.29 126.46 30.81 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.5 -0.75 . . . . 0.0 111.572 -177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -127.2 155.55 43.24 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.771 1.228 . . . . 0.0 111.23 171.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -77.7 157.92 29.9 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.752 -176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 32.2 ttm-85 -41.89 -56.94 2.56 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.421 1.088 . . . . 0.0 112.105 169.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 17.4 ptm -74.6 -15.88 60.82 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.44 -8.84 56.02 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.452 0.701 . . . . 0.0 111.66 173.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 97.6 t -107.4 92.11 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 C-N-CA 125.286 1.434 . . . . 0.0 108.249 176.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.3 pt -101.62 151.34 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 C-N-CA 124.923 1.289 . . . . 0.0 110.014 -173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 19.6 mt -114.14 137.0 52.32 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.175 1.39 . . . . 0.0 109.168 -169.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.4 p -68.94 166.13 18.54 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.217 -0.927 . . . . 0.0 110.172 168.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.441 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.7 pp -57.07 -32.92 66.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 169.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -71.0 -38.79 72.67 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 121.622 -0.674 . . . . 0.0 110.054 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -67.59 -50.8 56.57 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.364 0.666 . . . . 0.0 110.806 172.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -48.7 -41.72 27.24 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.561 1.553 . . . . 0.0 113.352 171.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -58.14 -47.39 83.48 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.232 -1.158 . . . . 0.0 113.498 174.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 12.7 mtt180 -61.76 -3.5 1.14 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 176.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.7 mt -118.2 -32.8 4.59 Favored 'General case' 0 N--CA 1.442 -0.831 0 C-N-CA 126.952 2.101 . . . . 0.0 109.049 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.0 ttp85 -54.77 -38.98 67.9 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.161 2.185 . . . . 0.0 112.19 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -52.51 -36.65 55.72 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.185 1.394 . . . . 0.0 114.509 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.43 -30.73 6.78 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.402 1.481 . . . . 0.0 112.03 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -105.05 -9.56 17.77 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -169.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.12 135.78 43.29 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.604 1.097 . . . . 0.0 112.674 179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.629 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt -68.75 -38.97 80.49 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.6 1.2 . . . . 0.0 112.074 176.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.206 0 C-N-CA 126.542 2.02 . . . . 0.0 115.737 -168.818 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 5.5 t -70.62 -16.18 62.81 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -172.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 20.0 m -66.0 71.75 0.06 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 127.159 2.184 . . . . 0.0 115.011 -175.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 24.2 mmt180 -131.04 161.18 32.57 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.362 1.865 . . . . 0.0 112.584 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.58 172.13 4.45 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.423 2.289 . . . . 0.0 113.255 -179.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -57.95 -23.83 55.34 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.291 0 C-N-CA 126.451 1.9 . . . . 0.0 110.706 -179.204 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.407 HD13 ' C ' ' B' ' 383' ' ' LEU . 1.4 tm? -59.73 102.35 0.15 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.585 0.754 . . . . 0.0 112.911 -170.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 12.1 tpt -175.96 145.78 0.67 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 128.908 2.883 . . . . 0.0 108.67 168.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.86 170.09 21.35 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.75 1.22 . . . . 0.0 112.866 -168.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -116.98 35.04 4.8 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.044 1.737 . . . . 0.0 112.2 -175.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 22.7 p . . . . . 0 C--O 1.255 1.361 0 C-N-CA 126.815 2.046 . . . . 0.0 114.048 178.192 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.32 -0.312 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -66.57 -31.82 72.78 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.385 1.074 . . . . 0.0 113.878 -177.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 98.3 mtp -141.98 168.22 20.28 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.105 1.762 . . . . 0.0 111.489 -179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.2 t30 -145.64 120.1 9.69 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 125.387 1.475 . . . . 0.0 110.076 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 78.6 p 23.53 -87.65 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 128.855 2.862 . . . . 0.0 115.457 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -138.05 -43.4 0.52 Allowed 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 128.414 2.686 . . . . 0.0 108.471 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 11.6 t -64.38 109.6 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 124.877 1.271 . . . . 0.0 111.583 -174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 119.18 -24.46 8.21 Favored Glycine 0 CA--C 1.541 1.673 0 C-N-CA 126.339 1.924 . . . . 0.0 113.571 -176.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 33.4 mt -71.1 134.31 46.93 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.946 1.299 . . . . 0.0 113.925 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.56 126.39 30.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.934 1.294 . . . . 0.0 109.139 167.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 11.2 m -150.13 172.77 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.924 1.69 . . . . 0.0 109.537 -170.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -116.02 132.87 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 O-C-N 120.616 -1.303 . . . . 0.0 109.267 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.408 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -129.87 158.58 39.09 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 125.461 1.504 . . . . 0.0 111.751 -169.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.4 tttt -84.89 130.91 34.58 Favored 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 170.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 14.0 t-105 -83.9 105.34 14.71 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 166.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 59.1 p -60.91 -33.54 73.29 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -169.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 48.8 m -72.23 -15.4 61.93 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -174.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 17.2 m120 -136.44 -15.97 1.62 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 114.5 -15.75 19.76 Favored Glycine 0 N--CA 1.48 1.572 0 N-CA-C 119.404 2.522 . . . . 0.0 119.404 166.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.0 m-30 -107.98 176.98 4.95 Favored 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 121.141 2.47 . . . . 0.0 112.342 -171.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 5.5 m-85 -117.08 128.38 55.09 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.822 1.249 . . . . 0.0 111.584 -167.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -134.91 149.09 50.22 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.97 1.308 . . . . 0.0 110.484 -170.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 62.4 p -75.89 151.49 37.37 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.012 -1.055 . . . . 0.0 112.278 -178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.69 -169.63 34.76 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.253 0.93 . . . . 0.0 113.349 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 137.29 52.03 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.847 1.259 . . . . 0.0 109.405 175.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.5 125.8 27.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 169.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 1.8 p -106.06 -19.63 13.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.531 1.132 . . . . 0.0 111.068 -177.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 20.4 ttt-85 -168.0 151.42 5.94 Favored 'General case' 0 C--N 1.347 0.46 0 C-N-CA 125.074 1.35 . . . . 0.0 113.394 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 7.9 t0 -79.15 108.28 12.53 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.33 -2.1 . . . . 0.0 105.33 160.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -63.06 -50.96 77.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 121.392 -0.817 . . . . 0.0 109.235 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 155.04 162.98 11.63 Favored Glycine 0 C--N 1.336 0.569 0 C-N-CA 125.586 1.565 . . . . 0.0 111.124 170.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.39 2.48 0.09 Allowed 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 117.384 2.364 . . . . 0.0 117.384 172.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.24 -15.17 6.88 Favored Glycine 0 CA--C 1.53 1.006 0 C-N-CA 126.045 1.783 . . . . 0.0 113.2 -174.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.56 138.51 37.5 Favored 'General case' 0 C--N 1.342 0.242 0 CA-C-N 120.086 1.943 . . . . 0.0 109.228 173.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -124.64 137.77 54.35 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.597 1.559 . . . . 0.0 109.558 172.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -73.91 122.96 23.36 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 126.815 2.046 . . . . 0.0 109.276 174.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -122.03 114.05 20.4 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.509 1.124 . . . . 0.0 112.382 -174.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.8 tp -83.91 101.85 11.98 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.307 1.443 . . . . 0.0 109.487 169.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -66.0 150.99 47.79 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.77 0.828 . . . . 0.0 111.875 173.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' 1583 ' ' ARG . 56.1 m-20 -61.95 -22.55 65.72 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 174.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 47.0 t0 -65.75 -16.95 64.26 Favored 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 124.848 1.259 . . . . 0.0 112.349 172.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 105.41 1.93 40.89 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 126.345 1.926 . . . . 0.0 114.279 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.45 155.49 20.52 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.802 1.641 . . . . 0.0 111.432 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -136.08 130.46 33.44 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.127 0.971 . . . . 0.0 110.855 173.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 43.0 t -149.82 160.95 43.15 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.756 1.222 . . . . 0.0 110.306 170.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -73.8 137.7 44.03 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.991 0.917 . . . . 0.0 109.47 170.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 94.3 t -137.73 133.6 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.454 1.502 . . . . 0.0 108.432 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.5 mt -69.41 149.25 48.57 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 120.624 -1.298 . . . . 0.0 112.023 177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.31 -38.02 48.87 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 124.666 1.127 . . . . 0.0 114.818 -176.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.586 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -60.1 -29.26 68.47 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.967 -0.725 . . . . 0.0 112.796 175.632 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -92.86 19.03 8.1 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.748 2.019 . . . . 0.0 114.005 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.408 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -138.17 142.64 35.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 O-C-N 120.501 -1.375 . . . . 0.0 109.958 178.615 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 44.9 mt -127.47 108.27 10.67 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 127.55 2.34 . . . . 0.0 108.656 -167.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.568 HD23 HD22 ' A' 1602 ' ' LEU . 0.5 OUTLIER -102.01 -4.97 25.18 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 -167.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.7 p -135.65 43.4 2.6 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.184 0.993 . . . . 0.0 109.757 -178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -111.51 60.26 0.47 Allowed Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 128.087 2.555 . . . . 0.0 114.788 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -65.54 123.14 11.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 N-CA-C 103.794 -3.195 . . . . 0.0 103.794 162.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.451 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.8 mm -58.03 117.05 16.77 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 121.742 -0.599 . . . . 0.0 110.384 -165.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.74 134.18 34.16 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.381 1.387 . . . . 0.0 110.902 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.73 ' H ' HD12 ' A' 1540 ' ' LEU . 2.0 mp -57.95 150.08 21.43 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 114.086 -1.416 . . . . 0.0 109.65 171.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 47.1 m-20 71.67 -0.08 3.3 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.709 2.004 . . . . 0.0 114.668 -169.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -84.79 151.62 24.23 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.417 1.462 . . . . 0.0 110.858 169.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -91.4 139.21 30.94 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.624 0.77 . . . . 0.0 109.98 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -151.1 153.72 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.745 1.218 . . . . 0.0 111.239 -170.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.9 m -90.85 144.69 25.43 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 168.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -119.9 143.58 47.88 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.198 2.199 . . . . 0.0 110.196 -176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.0 mt -127.85 135.33 49.9 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 126.081 1.752 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.2 m -105.23 155.28 19.21 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.729 0.812 . . . . 0.0 110.972 -175.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -65.38 -23.75 67.05 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 121.367 -0.833 . . . . 0.0 112.511 176.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -80.27 7.66 9.03 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.039 1.336 . . . . 0.0 113.402 169.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 86.45 -6.64 0.74 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 130.238 3.415 . . . . 0.0 116.254 169.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -58.66 152.69 18.08 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.426 1.012 . . . . 0.0 112.543 177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -142.03 128.03 19.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.213 0.605 . . . . 0.0 112.238 170.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 12.0 p -153.89 176.92 11.6 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.098 1.359 . . . . 0.0 111.804 171.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -119.59 157.18 28.94 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.915 1.45 . . . . 0.0 114.915 -172.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.33 -160.81 20.76 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 125.844 1.688 . . . . 0.0 111.221 -169.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.1 t -135.21 134.69 52.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 121.596 -0.943 . . . . 0.0 111.324 -169.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 41.1 t -64.49 131.16 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.419 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.82 8.22 3.27 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.548 1.939 . . . . 0.0 114.277 177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.34 173.34 45.28 Favored Glycine 0 N--CA 1.475 1.239 0 CA-C-N 119.192 0.905 . . . . 0.0 114.87 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -139.31 149.62 44.45 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.894 2.078 . . . . 0.0 112.329 -177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -144.81 148.83 34.49 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.589 1.556 . . . . 0.0 109.496 174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -123.5 137.74 54.72 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.365 1.466 . . . . 0.0 109.646 170.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -140.92 100.45 3.83 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.048 0.939 . . . . 0.0 110.438 -171.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 56.5 m 57.14 -43.85 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 129.133 2.973 . . . . 0.0 117.855 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -171.67 19.84 0.07 OUTLIER Glycine 0 CA--C 1.536 1.395 0 C-N-CA 127.322 2.391 . . . . 0.0 113.276 178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -138.6 161.21 37.67 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.856 1.263 . . . . 0.0 110.837 -178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 50.1 tp -123.15 140.98 52.46 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.94 1.296 . . . . 0.0 111.559 -167.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -130.66 156.19 45.33 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 126.759 2.024 . . . . 0.0 111.935 -172.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -137.6 122.53 18.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.992 1.717 . . . . 0.0 108.822 -173.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 39.9 t -78.98 115.26 18.55 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 168.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.3 mm -100.94 129.34 52.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 176.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -86.16 96.39 9.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 169.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 25.7 ttpt -116.64 124.77 50.57 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 125.077 1.351 . . . . 0.0 109.594 -170.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 53.91 24.9 4.88 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.267 1.027 . . . . 0.0 113.078 -171.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.17 15.29 54.25 Favored Glycine 0 CA--C 1.542 1.727 0 C-N-CA 124.936 1.255 . . . . 0.0 115.252 -177.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -127.4 119.93 27.29 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.027 1.331 . . . . 0.0 110.419 -169.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.2 mtm-85 -79.02 105.26 10.23 Favored 'General case' 0 N--CA 1.482 1.168 0 CA-C-N 119.161 0.891 . . . . 0.0 108.772 178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -128.65 133.93 48.38 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.581 1.953 . . . . 0.0 110.332 -167.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.1 m95 -78.68 127.78 32.57 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.306 -0.871 . . . . 0.0 112.148 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -128.69 157.96 39.9 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.499 1.52 . . . . 0.0 111.043 170.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 57.9 mttt -82.77 160.85 22.2 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.095 1.358 . . . . 0.0 111.007 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.6 ttp180 -40.72 -61.27 0.98 Allowed 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 124.806 1.242 . . . . 0.0 112.478 168.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . 0.402 ' CE ' ' CE1' ' B' ' 385' ' ' PHE . 27.8 ptm -68.51 -16.11 63.77 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -177.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -93.07 -7.22 46.21 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.97 0.908 . . . . 0.0 112.315 178.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 98.5 t -111.03 93.07 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.208 1.803 . . . . 0.0 108.822 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -98.85 150.23 5.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 124.907 1.283 . . . . 0.0 110.139 -172.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 18.6 mt -113.72 138.39 50.29 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.46 1.504 . . . . 0.0 109.153 -171.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.5 p -69.95 165.79 20.97 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 121.18 -0.95 . . . . 0.0 110.0 168.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.445 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 2.8 pp -56.87 -34.0 67.41 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 169.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 33.7 tp10 -71.09 -38.75 72.4 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.295 -0.878 . . . . 0.0 110.54 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 -67.25 -49.99 62.28 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.319 0.647 . . . . 0.0 110.726 172.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -50.21 -40.85 37.92 Favored Glycine 0 CA--C 1.532 1.156 0 C-N-CA 125.812 1.672 . . . . 0.0 113.098 172.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -58.87 -46.86 86.8 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.016 -1.285 . . . . 0.0 113.472 174.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -61.38 -4.56 1.3 Allowed 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.6 mt -116.97 -31.59 5.35 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 126.765 2.026 . . . . 0.0 109.267 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -55.53 -38.92 69.9 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.218 2.207 . . . . 0.0 112.16 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -51.59 -37.46 50.01 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.13 1.372 . . . . 0.0 114.507 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -113.27 -30.4 6.94 Favored 'General case' 0 N--CA 1.434 -1.272 0 C-N-CA 125.187 1.395 . . . . 0.0 112.006 -175.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 6.6 m-30 -107.59 -8.13 16.27 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 -169.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.73 135.84 45.47 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.277 0.942 . . . . 0.0 112.664 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.568 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -68.11 -36.63 80.06 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.792 1.296 . . . . 0.0 111.5 173.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.252 0 C-N-CA 127.601 2.524 . . . . 0.0 114.466 -169.69 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . 0.269 1.9 t 49.93 -176.95 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 128.458 2.703 . . . . 0.0 115.786 -173.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 72.8 m -141.1 136.66 32.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.912 2.485 . . . . 0.0 108.506 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -153.65 152.36 30.74 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-N 119.489 1.041 . . . . 0.0 113.297 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.429 ' CG ' ' H ' ' B' ' 381' ' ' LYS . 30.3 t-80 -66.52 179.16 1.07 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.913 1.285 . . . . 0.0 112.866 176.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . 0.429 ' H ' ' CG ' ' B' ' 380' ' ' HIS . 66.3 mttm -54.44 -36.64 64.28 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 126.554 1.942 . . . . 0.0 114.743 -172.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 115.712 1.745 . . . . 0.0 115.712 -172.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.441 HD21 ' CZ ' ' B' ' 385' ' ' PHE . 2.5 tm? -69.1 135.06 50.18 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -170.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 8.1 tpt -159.01 83.19 0.79 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.22 1.408 . . . . 0.0 111.445 166.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . 0.441 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 24.6 m-85 -55.4 125.32 20.37 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.956 0.902 . . . . 0.0 113.089 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -136.98 31.11 2.72 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 127.143 2.177 . . . . 0.0 111.358 175.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--O 1.254 1.33 0 C-N-CA 126.796 2.038 . . . . 0.0 112.047 -172.696 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.434 -0.267 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -148.68 160.06 43.52 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.379 1.471 . . . . 0.0 111.909 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 83.0 mmm -143.43 145.91 33.01 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.834 1.654 . . . . 0.0 111.552 -179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -68.06 164.14 20.83 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 122.268 1.032 . . . . 0.0 112.473 169.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 81.2 p -55.63 156.62 4.64 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 114.323 -1.308 . . . . 0.0 109.632 165.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -9.54 -62.1 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 128.798 2.839 . . . . 0.0 115.796 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -45.07 99.04 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 127.74 2.416 . . . . 0.0 112.953 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.59 -19.3 8.53 Favored Glycine 0 CA--C 1.538 1.527 0 C-N-CA 126.187 1.851 . . . . 0.0 113.781 177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.3 mp -74.88 137.83 42.04 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.72 1.208 . . . . 0.0 111.66 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -77.88 127.67 32.75 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.925 1.29 . . . . 0.0 109.828 168.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 24.5 m -149.74 -175.09 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 127.023 2.129 . . . . 0.0 109.326 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -128.77 141.34 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 O-C-N 120.339 -1.476 . . . . 0.0 108.924 173.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.507 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -139.43 160.59 39.49 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.797 0.839 . . . . 0.0 112.128 -169.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.4 tttt -84.46 131.56 34.65 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.884 0.373 . . . . 0.0 110.494 172.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -89.81 110.74 21.64 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 168.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 57.3 p -62.83 -29.93 71.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.95 1.3 . . . . 0.0 114.493 -169.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 50.0 m -80.64 1.76 28.57 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.993 1.479 . . . . 0.0 114.993 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -145.52 -36.84 0.28 Allowed 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 128.83 -14.15 6.04 Favored Glycine 0 N--CA 1.477 1.415 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 169.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.7 m-30 -105.06 171.62 7.22 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-N 120.444 2.122 . . . . 0.0 110.745 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -109.3 129.66 55.51 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.638 0.732 . . . . 0.0 110.871 -173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -128.71 145.49 51.15 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.26 1.424 . . . . 0.0 109.559 -171.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.9 p -73.83 153.85 39.74 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.883 -1.136 . . . . 0.0 111.929 -176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.81 -169.4 37.38 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.955 -0.465 . . . . 0.0 114.133 -174.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.5 135.47 49.48 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.932 1.693 . . . . 0.0 109.167 -178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -67.65 122.6 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 169.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -99.36 -27.31 13.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.767 0.827 . . . . 0.0 112.952 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.16 139.06 1.03 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.082 1.753 . . . . 0.0 112.41 176.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.4 t0 -67.0 103.15 1.09 Allowed 'General case' 0 N--CA 1.471 0.623 0 O-C-N 120.588 -1.32 . . . . 0.0 109.592 167.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -56.58 -52.23 56.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.818 0.847 . . . . 0.0 109.001 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 152.17 165.42 13.15 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 125.054 1.312 . . . . 0.0 110.868 168.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.9 2.97 0.11 Allowed 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 173.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 126.57 -16.29 6.61 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 126.382 1.944 . . . . 0.0 113.252 -175.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.2 mppt? -79.84 136.64 36.74 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 120.052 1.926 . . . . 0.0 109.386 173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -123.09 137.68 54.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.251 1.42 . . . . 0.0 109.911 171.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.0 tppt? -72.25 123.0 22.04 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 127.053 2.141 . . . . 0.0 108.966 173.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -121.1 114.94 22.18 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 125.105 1.362 . . . . 0.0 112.404 -174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.17 103.16 13.14 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 125.136 1.374 . . . . 0.0 108.278 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -63.13 148.35 48.2 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 123.238 0.615 . . . . 0.0 110.809 170.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -61.38 -14.12 25.16 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 171.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.96 -18.55 65.36 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.69 1.196 . . . . 0.0 111.853 171.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 98.6 5.39 56.79 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.938 1.732 . . . . 0.0 114.707 -173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -102.35 156.36 17.64 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.219 1.808 . . . . 0.0 112.067 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -131.1 137.76 49.23 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.814 0.846 . . . . 0.0 112.147 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 159.46 44.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.233 1.013 . . . . 0.0 111.249 170.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -77.38 140.72 39.99 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.689 -1.257 . . . . 0.0 108.872 168.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -138.93 134.94 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.741 1.216 . . . . 0.0 108.963 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -71.1 146.17 49.4 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.287 -0.883 . . . . 0.0 111.543 176.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -48.0 -39.31 18.6 Favored Glycine 0 N--CA 1.471 0.997 0 C-N-CA 124.865 1.221 . . . . 0.0 114.858 -174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.4 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -55.77 -37.5 68.63 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 117.552 0.676 . . . . 0.0 112.519 177.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -92.0 23.52 3.69 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.377 1.871 . . . . 0.0 113.598 -175.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.507 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -132.95 132.1 59.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.508 1.123 . . . . 0.0 108.501 173.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 77.4 mt -118.35 115.6 25.03 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 127.441 2.296 . . . . 0.0 109.181 -168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.518 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -117.74 4.74 12.26 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 116.357 1.984 . . . . 0.0 116.357 -169.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 71.9 m -117.85 32.97 5.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.141 1.376 . . . . 0.0 108.821 171.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -85.59 7.48 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.836 2 N-CA-C 124.148 4.87 . . . . 0.0 124.148 -165.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -51.58 122.59 10.55 Favored 'Trans proline' 0 C--N 1.355 0.883 0 CA-C-N 125.595 3.034 . . . . 0.0 107.701 166.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.402 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 5.1 mm -59.63 119.9 44.36 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 122.939 0.495 . . . . 0.0 110.889 -164.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -65.84 131.26 26.84 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 121.78 1.653 . . . . 0.0 110.753 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' 1540 ' ' LEU . 3.7 mp -56.56 151.67 13.19 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.353 172.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 70.39 -3.36 1.88 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.456 1.902 . . . . 0.0 114.693 -170.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -81.34 152.23 27.62 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.767 1.621 . . . . 0.0 111.016 169.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -95.89 133.74 39.71 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 124.747 1.219 . . . . 0.0 110.256 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 12.6 m -147.55 160.76 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.352 1.461 . . . . 0.0 112.392 -168.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.3 m -90.58 145.53 24.79 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.586 0.754 . . . . 0.0 109.254 168.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -122.02 146.71 46.91 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.081 2.152 . . . . 0.0 109.913 177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.0 mt -127.5 137.43 52.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.175 1.39 . . . . 0.0 112.024 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 22.0 m -105.27 153.92 20.94 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.426 1.09 . . . . 0.0 110.717 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.11 -23.1 67.29 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 121.424 -0.798 . . . . 0.0 112.582 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -81.73 8.9 8.85 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 125.154 1.382 . . . . 0.0 113.565 172.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 91.44 -14.19 0.21 Allowed 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 131.051 3.74 . . . . 0.0 115.0 169.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -55.14 140.87 36.96 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.822 0.737 . . . . 0.0 112.795 -177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.3 129.79 41.95 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.509 1.124 . . . . 0.0 111.717 172.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.74 175.93 12.71 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.369 1.068 . . . . 0.0 111.556 174.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.75 152.25 38.54 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 119.289 0.949 . . . . 0.0 113.458 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.48 -161.27 16.53 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.833 2.159 . . . . 0.0 110.302 -169.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 49.7 t -135.83 134.53 51.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 O-C-N 121.2 -1.176 . . . . 0.0 112.024 -168.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 33.2 t -64.58 129.71 28.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.351 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.39 7.61 3.9 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 126.31 1.844 . . . . 0.0 113.891 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.81 174.66 45.82 Favored Glycine 0 N--CA 1.474 1.227 0 N-CA-C 115.35 0.9 . . . . 0.0 115.35 173.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.4 m80 -135.84 148.38 48.64 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 127.203 2.201 . . . . 0.0 111.109 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -142.88 149.84 39.04 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.03 1.332 . . . . 0.0 109.752 175.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -124.06 138.11 54.49 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.379 1.472 . . . . 0.0 109.015 171.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -140.3 100.73 3.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 123.986 0.915 . . . . 0.0 110.16 -169.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 66.8 m 58.23 -42.11 0.06 Allowed 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 129.147 2.979 . . . . 0.0 117.32 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -176.21 21.85 0.05 OUTLIER Glycine 0 CA--C 1.538 1.472 0 C-N-CA 127.412 2.434 . . . . 0.0 113.393 178.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -141.59 165.44 27.48 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.223 1.512 . . . . 0.0 111.375 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.3 tp -118.06 143.7 46.21 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.586 1.154 . . . . 0.0 113.589 -166.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -133.08 158.39 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 127.33 2.252 . . . . 0.0 112.429 -174.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.402 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 91.6 m-85 -134.32 127.21 31.27 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.42 1.888 . . . . 0.0 109.087 -178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.3 t -82.38 113.06 19.9 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 169.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.2 mm -99.42 128.08 51.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -85.99 103.3 14.56 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 169.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -124.21 125.23 44.07 Favored 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 124.728 1.211 . . . . 0.0 109.964 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 57.72 20.8 6.74 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 124.053 0.941 . . . . 0.0 112.361 -175.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.35 16.13 47.96 Favored Glycine 0 CA--C 1.542 1.77 0 C-N-CA 125.001 1.286 . . . . 0.0 115.374 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -128.57 119.83 25.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.95 1.3 . . . . 0.0 110.487 -169.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.58 105.4 11.8 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.817 0.847 . . . . 0.0 109.056 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -128.0 133.65 49.17 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.58 1.552 . . . . 0.0 111.103 -167.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 82.0 m95 -79.1 121.13 24.6 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 121.91 -0.493 . . . . 0.0 111.854 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -121.64 156.32 33.24 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.209 1.403 . . . . 0.0 110.971 170.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -78.36 158.4 28.79 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.135 -177.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -44.11 -56.62 3.91 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 119.37 0.987 . . . . 0.0 112.084 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ppp? -72.91 -17.37 61.51 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.66 -10.65 57.12 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 118.827 0.74 . . . . 0.0 111.535 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -102.13 105.01 17.28 Favored 'Isoleucine or valine' 0 C--N 1.344 0.327 0 C-N-CA 125.247 1.419 . . . . 0.0 109.015 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 15.2 pt -113.37 149.7 15.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.478 1.111 . . . . 0.0 109.87 -172.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -114.48 116.83 29.47 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.231 1.012 . . . . 0.0 110.43 -168.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 1.2 m -57.73 141.9 47.09 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.493 0.717 . . . . 0.0 109.431 169.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -53.25 -36.83 61.51 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.616 1.098 . . . . 0.0 113.918 -170.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -70.75 -30.5 67.03 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.398 -0.814 . . . . 0.0 111.629 -179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -73.17 -44.33 60.08 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.026 1.33 . . . . 0.0 109.523 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -65.69 -29.97 76.29 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 124.483 1.04 . . . . 0.0 114.188 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.7 m-80 -57.25 -41.46 79.66 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.992 1.317 . . . . 0.0 113.66 172.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -53.52 -24.16 12.55 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 119.629 1.104 . . . . 0.0 112.83 173.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . 0.421 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 4.5 mt -92.39 -39.6 11.36 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.291 1.836 . . . . 0.0 111.33 177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -52.47 -37.57 57.44 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.76 2.024 . . . . 0.0 113.554 -173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.36 -34.96 62.21 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 115.205 1.558 . . . . 0.0 115.205 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -113.3 -31.05 6.71 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.544 1.538 . . . . 0.0 111.446 -173.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 6.0 m-30 -101.87 -12.39 18.29 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.696 1.198 . . . . 0.0 114.103 -170.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.21 139.88 43.3 Favored Glycine 0 CA--C 1.539 1.56 0 C-N-CA 124.092 0.853 . . . . 0.0 113.035 179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt -68.74 -35.96 77.79 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 118.754 1.277 . . . . 0.0 111.426 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.302 0 C-N-CA 126.607 2.051 . . . . 0.0 114.78 -169.303 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 14.7 t -67.67 -36.77 81.32 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 21.2 m 52.9 22.7 2.49 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.065 1.876 . . . . 0.0 116.065 174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 18.2 ttp85 -124.54 152.32 43.6 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.737 1.215 . . . . 0.0 113.112 -168.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -59.73 162.11 5.58 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.517 1.927 . . . . 0.0 114.715 -169.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -36.34 -46.24 0.52 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 129.183 2.993 . . . . 0.0 117.053 -169.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 125.34 1.456 . . . . 0.0 113.183 -179.074 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' B' ' 385' ' ' PHE . 0.6 OUTLIER -71.12 113.09 7.79 Favored 'General case' 0 C--O 1.232 0.146 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -166.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 26.6 tpp -165.03 156.07 14.49 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 128.273 2.629 . . . . 0.0 106.577 163.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . 0.424 ' CZ ' HD11 ' B' ' 383' ' ' LEU . 21.7 m-85 -115.64 159.76 20.91 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -164.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -130.56 18.96 5.22 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 127.914 2.486 . . . . 0.0 111.047 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 128.153 2.581 . . . . 0.0 113.882 177.363 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.895 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -141.3 162.33 35.74 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.276 1.43 . . . . 0.0 112.095 -172.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.3 mtm -140.55 169.29 17.92 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.63 1.572 . . . . 0.0 111.703 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 34.3 t30 -142.61 89.83 2.17 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.517 1.527 . . . . 0.0 109.766 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 88.7 p 41.96 -84.23 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 128.148 2.579 . . . . 0.0 115.716 -179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -141.15 -52.92 0.46 Allowed 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 128.247 2.619 . . . . 0.0 107.856 -179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.5 t -49.32 98.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 127.772 2.429 . . . . 0.0 112.968 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 128.01 -22.12 5.45 Favored Glycine 0 CA--C 1.541 1.662 0 C-N-CA 126.227 1.87 . . . . 0.0 113.758 178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.3 mp -74.79 135.44 41.69 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.153 1.381 . . . . 0.0 112.522 -177.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 13.9 mtt180 -75.11 129.08 36.95 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.547 0.739 . . . . 0.0 110.145 166.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.3 m -148.18 -174.55 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 127.389 2.276 . . . . 0.0 108.75 -171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.2 t -127.1 143.08 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.28 -1.512 . . . . 0.0 108.871 171.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.515 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -140.17 159.63 41.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 119.375 0.989 . . . . 0.0 111.939 -171.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.5 tttt -85.57 122.6 29.92 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 122.523 0.329 . . . . 0.0 110.47 172.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 1.8 t-105 -77.41 117.09 18.55 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.592 0.757 . . . . 0.0 109.969 171.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 63.4 p -65.5 -33.84 76.88 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -169.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 49.1 m -77.02 -4.3 43.45 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -171.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -146.54 -32.37 0.33 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 173.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 95.51 53.72 1.53 Allowed Glycine 0 CA--C 1.532 1.137 0 N-CA-C 117.027 1.571 . . . . 0.0 117.027 169.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.85 175.85 9.18 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 127.375 2.27 . . . . 0.0 107.605 169.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -116.43 125.2 51.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.44 1.096 . . . . 0.0 111.713 -170.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -133.69 146.62 51.0 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.535 1.134 . . . . 0.0 110.5 -170.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 87.8 p -75.52 151.24 37.99 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.306 -0.872 . . . . 0.0 111.278 -176.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.9 -169.23 35.2 Favored Glycine 0 CA--C 1.523 0.573 0 O-C-N 122.01 -0.431 . . . . 0.0 113.187 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.6 138.88 54.46 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.395 1.078 . . . . 0.0 109.918 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.36 121.26 15.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 169.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 -27.12 13.76 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -177.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.03 136.6 0.88 Allowed 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.846 1.659 . . . . 0.0 112.744 176.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 10.6 t0 -64.25 103.21 0.6 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.761 -1.212 . . . . 0.0 109.394 166.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -57.35 -51.46 69.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 123.879 0.872 . . . . 0.0 108.764 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 153.18 164.3 12.44 Favored Glycine 0 CA--C 1.525 0.688 0 C-N-CA 125.378 1.466 . . . . 0.0 110.854 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.6 2.08 0.09 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 173.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 127.98 -16.1 6.14 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.377 1.941 . . . . 0.0 113.286 -175.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -79.71 137.77 37.13 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 120.031 1.915 . . . . 0.0 109.049 173.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -124.02 136.38 54.24 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.475 1.51 . . . . 0.0 109.474 173.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -71.94 122.87 21.56 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 127.047 2.139 . . . . 0.0 109.403 173.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.64 113.29 19.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.834 1.254 . . . . 0.0 111.76 -175.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 47.1 tp -84.65 102.14 12.71 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 125.13 1.372 . . . . 0.0 108.308 168.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -61.51 147.09 46.5 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.518 0.727 . . . . 0.0 111.194 170.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -63.24 -19.85 64.92 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -75.55 -2.75 30.52 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 172.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.6 47.27 Favored Glycine 0 CA--C 1.538 1.501 0 C-N-CA 125.989 1.757 . . . . 0.0 114.592 172.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -91.06 154.35 19.46 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.622 1.569 . . . . 0.0 111.54 -175.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -132.59 141.26 48.6 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 120.716 -1.24 . . . . 0.0 112.762 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.87 156.17 40.67 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.276 1.03 . . . . 0.0 111.634 169.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -78.78 133.78 37.06 Favored 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.845 -1.159 . . . . 0.0 109.593 169.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 61.0 t -133.69 133.79 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.629 1.172 . . . . 0.0 109.05 -177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.3 mt -68.54 146.46 53.09 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.022 -1.049 . . . . 0.0 111.587 174.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.41 -38.28 34.09 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 124.133 0.873 . . . . 0.0 114.433 -174.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.573 ' HD2' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -54.1 -36.53 63.3 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.957 -0.731 . . . . 0.0 112.329 176.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -92.42 20.21 6.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.947 2.099 . . . . 0.0 114.534 -174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.6 134.99 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.758 1.223 . . . . 0.0 108.622 178.37 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' 1597 ' ' ARG . 40.6 mt -117.47 111.51 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 128.041 2.536 . . . . 0.0 109.195 -167.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.491 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.66 2.68 13.0 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 116.706 2.114 . . . . 0.0 116.706 -170.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 49.7 t -121.68 48.72 1.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.82 22.15 0.05 OUTLIER Pre-proline 0 CA--C 1.549 0.919 1 N-CA-C 123.185 4.513 . . . . 0.0 123.185 -160.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -56.06 125.87 20.51 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 CA-C-N 124.102 2.501 . . . . 0.0 107.93 166.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.407 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 8.0 mm -60.06 122.09 63.74 Favored Pre-proline 0 CA--C 1.545 0.775 0 CA-C-O 119.008 -0.52 . . . . 0.0 109.988 -167.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -66.63 128.86 19.85 Favored 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 121.911 1.741 . . . . 0.0 111.174 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.709 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -57.37 151.25 16.6 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.024 172.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 42.7 m-20 71.43 -3.1 2.2 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.688 1.995 . . . . 0.0 114.789 -169.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 147.46 30.44 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 120.668 1.576 . . . . 0.0 111.461 169.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -80.59 139.73 36.13 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.923 0.889 . . . . 0.0 110.416 175.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.7 m -150.4 155.32 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.401 1.08 . . . . 0.0 112.012 -175.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.2 m -90.02 148.33 23.13 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.187 0.995 . . . . 0.0 108.385 167.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.07 143.47 50.87 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 127.49 2.316 . . . . 0.0 110.088 -174.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 1.4 mt -127.19 139.61 52.82 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.814 1.246 . . . . 0.0 112.297 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.1 m -105.49 156.26 18.38 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.121 0.968 . . . . 0.0 111.05 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -61.85 -26.65 68.27 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 121.708 -0.62 . . . . 0.0 112.186 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -81.4 11.78 4.19 Favored 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 125.977 1.711 . . . . 0.0 113.879 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 86.81 -12.54 0.55 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 130.003 3.321 . . . . 0.0 115.927 169.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -54.64 142.89 26.54 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.197 0.908 . . . . 0.0 112.731 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -133.41 123.87 26.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.468 1.107 . . . . 0.0 111.595 173.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.5 p -153.6 177.55 10.82 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.077 1.351 . . . . 0.0 112.357 172.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.63 157.54 31.96 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -173.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.45 -157.17 12.82 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 126.49 1.995 . . . . 0.0 111.119 -169.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 59.4 t -136.57 136.03 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 O-C-N 121.192 -1.181 . . . . 0.0 111.372 -170.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.0 t -65.59 129.65 30.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.365 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -133.85 8.64 3.84 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 126.234 1.814 . . . . 0.0 114.342 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.44 174.36 45.55 Favored Glycine 0 N--CA 1.474 1.179 0 CA-C-N 119.0 0.818 . . . . 0.0 115.079 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 9.0 m80 -138.11 149.12 45.65 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.682 2.393 . . . . 0.0 111.179 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 45.4 ttt85 -145.1 150.52 36.95 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.837 1.255 . . . . 0.0 110.009 173.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 12.1 mmtp -123.76 135.38 53.79 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.691 1.596 . . . . 0.0 108.677 169.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -140.05 106.83 5.38 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.136 0.974 . . . . 0.0 109.781 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 49.5 m 57.99 -37.14 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 129.406 3.082 . . . . 0.0 118.12 177.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 178.44 21.41 0.03 OUTLIER Glycine 0 CA--C 1.536 1.387 0 C-N-CA 127.2 2.333 . . . . 0.0 113.329 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -143.39 160.97 39.58 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.27 1.535 . . . . 0.0 111.643 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 35.9 tp -117.11 140.22 49.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.979 1.312 . . . . 0.0 112.392 -167.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -132.25 158.44 41.78 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 126.957 2.103 . . . . 0.0 112.338 -172.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.407 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 95.7 m-85 -137.54 127.38 25.57 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 126.164 1.786 . . . . 0.0 109.297 -176.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 40.0 t -82.67 113.61 20.47 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 168.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.5 mm -98.95 129.64 49.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 175.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -86.13 98.2 10.75 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 169.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -116.93 125.13 50.99 Favored 'General case' 0 CA--C 1.52 -0.205 0 C-N-CA 124.798 1.239 . . . . 0.0 109.902 -172.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 53.83 25.17 4.99 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 124.308 1.043 . . . . 0.0 113.034 -172.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.67 14.99 56.0 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 124.997 1.285 . . . . 0.0 115.218 -176.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.53 120.17 28.96 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.19 1.396 . . . . 0.0 110.407 -169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -79.55 105.41 10.84 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 119.273 0.942 . . . . 0.0 108.992 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -126.48 131.76 51.57 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 126.36 1.864 . . . . 0.0 110.263 -167.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.7 m95 -79.02 124.98 28.79 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.834 -0.541 . . . . 0.0 111.98 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -127.38 156.78 41.5 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.448 1.499 . . . . 0.0 111.147 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 63.8 mttt -79.07 158.16 27.89 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 125.134 1.374 . . . . 0.0 110.307 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 42.2 ttt85 -42.81 -58.47 2.35 Favored 'General case' 0 N--CA 1.492 1.64 0 CA-C-N 120.025 1.284 . . . . 0.0 112.258 169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.0 ptm -73.67 -13.35 60.97 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.88 -9.86 52.43 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 123.282 0.633 . . . . 0.0 112.493 171.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.4 t -107.82 107.47 22.88 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 C-N-CA 125.407 1.483 . . . . 0.0 108.976 176.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 6.2 pt -119.1 146.19 24.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 125.055 1.342 . . . . 0.0 109.532 -169.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.2 125.52 51.08 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.494 1.118 . . . . 0.0 110.191 -168.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 10.6 p -68.76 152.84 44.79 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.073 -1.017 . . . . 0.0 110.346 169.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -56.34 -36.84 69.21 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -167.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -64.27 -37.0 85.93 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.952 0.501 . . . . 0.0 111.535 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -74.02 -51.26 16.43 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.023 1.329 . . . . 0.0 109.729 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.35 -40.36 45.65 Favored Glycine 0 N--CA 1.474 1.225 0 C-N-CA 124.628 1.109 . . . . 0.0 113.019 172.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -54.46 -47.39 72.97 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 172.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.0 mtt-85 -62.12 -18.62 61.38 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 176.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.0 mp -88.59 -36.72 16.16 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.093 0.557 . . . . 0.0 110.985 169.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . 0.41 ' HA ' ' CD2' ' A' 1533 ' ' LEU . 8.0 tmm_? -56.11 -38.19 70.41 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 127.221 2.209 . . . . 0.0 113.65 -173.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.55 -33.85 56.14 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 172.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -111.93 -32.53 6.57 Favored 'General case' 0 N--CA 1.433 -1.302 0 C-N-CA 124.393 1.077 . . . . 0.0 110.952 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.6 m-30 -105.7 -9.66 17.18 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.374 1.47 . . . . 0.0 114.479 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.47 134.63 19.63 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.758 1.17 . . . . 0.0 113.352 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.491 HD22 HD23 ' A' 1534 ' ' LEU . 4.8 mt -65.93 -39.78 90.8 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 119.097 1.449 . . . . 0.0 112.112 175.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 C-N-CA 126.436 1.969 . . . . 0.0 112.73 -169.53 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.489 1.519 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 49.1 m -135.15 138.93 44.19 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.067 1.347 . . . . 0.0 110.531 -175.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 19.4 m -137.77 20.9 2.87 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -169.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.1 141.27 49.95 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.828 1.251 . . . . 0.0 111.745 -168.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -54.44 154.06 5.02 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.207 2.203 . . . . 0.0 115.136 -175.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -53.8 -23.51 12.38 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.805 2.842 . . . . 0.0 117.775 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 125.023 1.329 . . . . 0.0 112.762 -178.32 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' B' ' 385' ' ' PHE . 1.9 tm? -51.94 131.19 31.04 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.661 1.584 . . . . 0.0 111.794 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.6 tpt -158.04 155.44 29.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . 0.532 ' CZ ' HD21 ' B' ' 383' ' ' LEU . 25.7 m-85 -117.42 54.39 0.89 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.78 1.632 . . . . 0.0 112.933 -169.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -66.65 -16.28 64.09 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.502 1.121 . . . . 0.0 112.088 167.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.254 1.314 0 C-N-CA 129.857 3.263 . . . . 0.0 114.848 172.235 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.012 0 N-CA-C 112.239 -0.344 . . . . 0.0 112.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -66.41 -33.16 75.08 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 124.314 1.045 . . . . 0.0 113.769 -178.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 18.8 ttt -150.43 168.2 24.86 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.501 1.52 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 65.7 t30 -139.2 165.01 28.3 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 125.312 1.445 . . . . 0.0 109.818 172.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 56.9 p -46.33 -60.07 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.864 1.666 . . . . 0.0 115.307 -169.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -155.86 -54.84 0.09 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.974 2.11 . . . . 0.0 106.917 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.7 t -48.46 99.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 C-N-CA 128.304 2.642 . . . . 0.0 112.214 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.0 -22.41 6.03 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 125.889 1.709 . . . . 0.0 113.797 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.6 mp -74.37 138.85 43.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.791 1.236 . . . . 0.0 112.285 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -77.81 126.85 31.49 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.838 1.255 . . . . 0.0 110.006 168.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.2 m -149.82 174.77 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 126.388 1.875 . . . . 0.0 109.129 -170.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -119.41 135.02 61.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 120.332 -1.48 . . . . 0.0 109.024 174.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.649 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.63 155.51 49.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 119.184 0.902 . . . . 0.0 112.59 -169.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -85.62 123.35 30.93 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 41.5 t-105 -60.35 120.18 9.38 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 169.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 95.6 p -62.49 -19.6 63.74 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 -166.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 69.3 m -79.44 52.23 1.35 Allowed 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 119.967 1.258 . . . . 0.0 112.011 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.7 t30 40.44 52.11 2.92 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.411 2.684 . . . . 0.0 115.472 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -98.34 -148.28 23.38 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.097 0.856 . . . . 0.0 114.3 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.8 m-30 -105.14 -172.9 2.18 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.579 1.952 . . . . 0.0 109.238 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.12 123.19 47.89 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.346 1.459 . . . . 0.0 109.743 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.19 146.18 50.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.413 1.485 . . . . 0.0 110.408 -170.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 61.6 p -75.58 146.67 40.24 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.05 -1.031 . . . . 0.0 112.041 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.19 -171.26 36.96 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 123.369 0.509 . . . . 0.0 113.395 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 138.83 52.31 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 124.21 1.004 . . . . 0.0 109.739 178.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -66.5 122.46 17.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 171.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.2 p -100.0 -27.99 13.3 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.652 0.781 . . . . 0.0 112.819 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.24 136.68 0.84 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.578 1.551 . . . . 0.0 113.312 178.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 15.0 t0 -64.57 103.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 120.812 -1.18 . . . . 0.0 110.672 167.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -59.95 -52.04 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.253 1.021 . . . . 0.0 110.152 -177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.68 165.4 12.14 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 125.753 1.644 . . . . 0.0 110.889 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -0.96 0.18 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 117.086 2.254 . . . . 0.0 117.086 176.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.36 -7.87 24.66 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.669 1.604 . . . . 0.0 112.968 -169.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 42.6 mtmt -79.77 136.36 36.72 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 120.174 1.987 . . . . 0.0 109.321 170.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -123.06 136.55 54.87 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.759 1.624 . . . . 0.0 109.445 173.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -71.67 124.31 24.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 127.225 2.21 . . . . 0.0 109.343 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.466 HD21 HD13 ' A' 1532 ' ' ILE . 4.3 mm? -122.66 115.55 22.29 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.839 1.256 . . . . 0.0 112.365 -175.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 61.6 tp -84.4 103.24 13.39 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.429 1.492 . . . . 0.0 109.906 169.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -70.42 151.69 44.9 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.082 1.353 . . . . 0.0 111.87 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . 0.439 ' CG ' HH21 ' A' 1583 ' ' ARG . 52.3 m-20 -64.81 -23.8 67.35 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -175.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -71.27 -9.64 58.45 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 113.983 1.105 . . . . 0.0 113.983 172.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.52 -3.35 30.89 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 126.744 2.116 . . . . 0.0 114.11 172.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -82.47 157.05 23.77 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.463 1.505 . . . . 0.0 111.942 -175.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -134.2 136.84 43.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.716 0.807 . . . . 0.0 111.613 174.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -146.68 160.95 41.56 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.254 1.021 . . . . 0.0 111.298 170.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -80.34 139.05 36.76 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 168.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.6 t -137.12 133.26 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.94 147.85 52.72 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.47 -0.769 . . . . 0.0 112.028 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.14 -40.17 51.38 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.126 0.87 . . . . 0.0 113.565 -175.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.84 -31.96 65.29 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.693 -0.886 . . . . 0.0 112.293 177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -93.95 16.54 14.14 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.068 2.147 . . . . 0.0 113.448 -173.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.649 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -130.18 131.9 65.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.494 1.518 . . . . 0.0 107.538 178.001 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 39.1 mt -117.3 107.64 14.64 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 127.695 2.398 . . . . 0.0 109.077 -166.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.546 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.06 2.86 21.47 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.826 1.788 . . . . 0.0 115.826 -168.687 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 26.0 t -125.01 42.84 3.18 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.167 1.387 . . . . 0.0 107.792 175.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -119.05 61.47 5.39 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 117.243 2.312 . . . . 0.0 117.243 -165.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -69.16 124.61 11.51 Favored 'Trans proline' 0 CA--C 1.547 1.149 0 N-CA-C 102.294 -3.771 . . . . 0.0 102.294 158.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.469 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.6 mm -56.9 115.67 11.04 Favored Pre-proline 0 N--CA 1.477 0.899 0 CA-C-N 119.342 0.974 . . . . 0.0 110.41 -164.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -64.68 131.41 29.35 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 121.437 1.425 . . . . 0.0 110.857 -169.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.749 ' H ' HD12 ' A' 1540 ' ' LEU . 1.9 mp -57.96 151.4 18.43 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.74 171.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 33.0 m-20 67.79 1.79 2.8 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.721 2.008 . . . . 0.0 114.679 -168.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.53 145.48 27.37 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 120.156 1.344 . . . . 0.0 111.356 169.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -83.63 137.4 33.82 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.519 1.128 . . . . 0.0 110.417 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 15.7 m -149.63 157.39 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.594 0 C-N-CA 125.136 1.374 . . . . 0.0 112.123 -171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 6.2 m -90.82 144.59 25.55 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 166.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.38 142.7 51.35 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.047 2.139 . . . . 0.0 109.46 -176.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.68 137.02 52.37 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.53 1.132 . . . . 0.0 112.412 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 21.1 m -104.99 154.41 20.14 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.722 0.809 . . . . 0.0 110.241 -176.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -66.26 -19.68 65.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 121.337 -0.852 . . . . 0.0 112.588 176.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -78.35 3.95 14.25 Favored 'General case' 0 CA--C 1.556 1.188 0 C-N-CA 125.035 1.334 . . . . 0.0 113.143 168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 86.47 -2.52 0.69 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 130.447 3.499 . . . . 0.0 116.452 169.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -59.01 148.36 31.09 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.805 -1.184 . . . . 0.0 112.517 175.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.58 122.0 18.3 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.546 1.139 . . . . 0.0 111.057 173.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 3.6 p -152.73 176.24 11.98 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.277 1.431 . . . . 0.0 111.207 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.64 155.28 39.42 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.92 -159.64 17.46 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 126.826 2.155 . . . . 0.0 110.397 -169.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.5 t -136.55 134.68 49.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 121.331 -1.1 . . . . 0.0 112.014 -170.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 42.2 t -63.5 131.33 29.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 C-N-CA 120.41 -0.516 . . . . 0.0 111.265 178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.5 mttt -135.23 13.58 3.54 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 125.743 1.617 . . . . 0.0 114.621 171.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.4 174.96 46.21 Favored Glycine 0 N--CA 1.474 1.205 0 O-C-N 120.965 -1.084 . . . . 0.0 115.464 173.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.1 m80 -137.37 146.74 44.87 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.995 2.118 . . . . 0.0 111.711 -178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -142.95 152.23 41.78 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.508 1.523 . . . . 0.0 109.647 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.54 136.93 54.38 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.402 1.481 . . . . 0.0 109.261 172.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -140.43 100.56 3.91 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 123.518 0.727 . . . . 0.0 111.18 -168.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.7 m 46.6 27.45 0.64 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.886 1.809 . . . . 0.0 115.886 176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 108.65 17.97 9.97 Favored Glycine 0 CA--C 1.54 1.617 0 CA-C-O 118.33 -1.261 . . . . 0.0 116.163 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -139.26 167.86 21.12 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.517 2.159 . . . . 0.0 111.765 172.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 27.5 tp -115.38 138.88 50.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 122.105 0.955 . . . . 0.0 112.875 -167.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -128.27 158.77 37.26 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 127.071 2.148 . . . . 0.0 112.424 -176.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.469 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.0 m-85 -135.63 124.9 24.64 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 126.239 1.815 . . . . 0.0 109.038 -176.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 34.6 t -79.26 116.81 19.74 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 168.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 28.4 mm -103.3 129.48 55.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -85.69 106.39 16.92 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 168.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.8 ttpp -124.54 125.25 43.88 Favored 'General case' 0 CA--C 1.515 -0.385 0 C-N-CA 124.556 1.142 . . . . 0.0 109.786 -175.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 57.5 22.56 8.19 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 124.117 0.967 . . . . 0.0 112.562 -177.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 93.25 14.82 53.37 Favored Glycine 0 CA--C 1.541 1.661 0 C-N-CA 125.157 1.361 . . . . 0.0 115.083 -176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -126.98 122.53 34.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.022 1.329 . . . . 0.0 110.778 -169.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -78.59 111.37 14.59 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 119.383 0.992 . . . . 0.0 108.46 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -133.02 131.59 40.86 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.184 1.394 . . . . 0.0 110.719 -168.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.3 m95 -79.31 123.68 27.69 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.69 -0.631 . . . . 0.0 111.636 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -124.42 155.47 38.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.718 1.207 . . . . 0.0 111.356 172.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 58.6 mttt -76.63 157.32 31.97 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.833 1.253 . . . . 0.0 110.269 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . 0.439 HH21 ' CG ' ' A' 1520 ' ' ASP . 33.5 ttp180 -41.15 -59.25 1.55 Allowed 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.285 1.034 . . . . 0.0 111.83 168.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -76.23 -10.11 59.16 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -175.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -91.73 -11.54 36.49 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.643 0.777 . . . . 0.0 112.315 171.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.6 t -104.74 93.27 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 125.858 1.663 . . . . 0.0 108.94 176.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.9 pt -100.57 138.56 24.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 C-N-CA 124.525 1.13 . . . . 0.0 108.794 -173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 7.5 mt -97.87 119.0 35.69 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.505 1.122 . . . . 0.0 108.447 -170.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.17 149.17 20.26 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.163 0.585 . . . . 0.0 110.706 173.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -58.24 -33.62 69.56 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 120.779 -1.201 . . . . 0.0 114.061 -171.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.72 -35.29 79.76 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.758 0.823 . . . . 0.0 111.421 177.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -66.71 -56.27 11.33 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.543 1.137 . . . . 0.0 109.317 172.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.81 -35.19 52.37 Favored Glycine 0 N--CA 1.476 1.328 0 C-N-CA 124.534 1.064 . . . . 0.0 113.099 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -54.01 -51.77 62.92 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 170.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.2 mtt180 -59.5 -14.96 14.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.452 1.101 . . . . 0.0 113.441 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.5 mp -99.81 -29.02 12.85 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.343 1.057 . . . . 0.0 112.41 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -53.13 -39.2 63.32 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 120.729 1.604 . . . . 0.0 112.42 178.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -55.64 -35.3 65.78 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -112.1 -35.56 5.61 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.254 1.422 . . . . 0.0 111.465 -171.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -105.74 -11.82 16.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.306 1.443 . . . . 0.0 114.138 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.04 139.62 36.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.968 1.27 . . . . 0.0 113.056 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.546 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -69.12 -37.81 78.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.687 1.243 . . . . 0.0 111.226 171.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.337 0 C-N-CA 125.633 1.587 . . . . 0.0 113.562 -169.673 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 119.144 -0.455 . . . . 0.0 111.689 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 26.8 m -140.96 145.21 35.71 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.961 1.304 . . . . 0.0 111.062 -170.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 51.1 m 45.99 51.26 10.93 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.196 1.799 . . . . 0.0 115.19 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -141.7 155.05 45.68 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 172.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . 0.406 ' CE1' ' HG2' ' B' ' 381' ' ' LYS . 47.0 t-80 -70.46 167.59 17.97 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.137 1.775 . . . . 0.0 113.528 -173.374 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . 0.406 ' HG2' ' CE1' ' B' ' 380' ' ' HIS . 0.7 OUTLIER -65.0 -24.51 67.53 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 176.007 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 124.265 1.026 . . . . 0.0 113.489 174.362 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.508 HD13 ' C ' ' B' ' 383' ' ' LEU . 2.4 tm? -59.55 118.52 6.16 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.418 1.008 . . . . 0.0 111.347 -179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 11.8 tpt -165.28 160.33 18.23 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.793 1.637 . . . . 0.0 111.203 169.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -120.44 39.72 3.66 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.073 1.749 . . . . 0.0 113.262 -168.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -76.68 56.9 1.19 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.057 1.343 . . . . 0.0 111.013 171.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--O 1.255 1.373 0 C-N-CA 127.155 2.182 . . . . 0.0 112.132 -170.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.033 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -128.79 12.17 6.24 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.861 1.264 . . . . 0.0 113.504 -173.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -136.24 165.87 24.75 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.655 1.582 . . . . 0.0 111.884 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 32.5 t30 -144.88 90.93 2.1 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 125.754 1.622 . . . . 0.0 109.551 178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 89.4 p 40.79 -86.15 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 128.138 2.575 . . . . 0.0 115.466 -178.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.36 -52.54 0.54 Allowed 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.01 2.524 . . . . 0.0 107.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 7.2 t -49.33 98.62 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 127.596 2.358 . . . . 0.0 112.621 177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.24 -20.15 6.29 Favored Glycine 0 CA--C 1.543 1.806 0 C-N-CA 126.31 1.909 . . . . 0.0 114.046 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.0 mp -73.43 138.32 45.13 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.398 1.479 . . . . 0.0 112.213 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.5 mtm-85 -78.53 128.61 33.78 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.268 1.027 . . . . 0.0 109.683 167.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.1 m -149.47 177.64 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 126.474 1.91 . . . . 0.0 109.753 -170.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.1 t -122.58 134.66 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.444 -1.41 . . . . 0.0 109.21 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.665 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -136.14 160.88 37.32 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.979 0.912 . . . . 0.0 113.14 -169.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -84.55 133.5 34.44 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.088 0.555 . . . . 0.0 109.823 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -76.82 125.65 29.64 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-O 121.372 0.606 . . . . 0.0 110.17 168.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 97.8 p -60.38 -21.19 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 118.175 2.657 . . . . 0.0 118.175 -166.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.0 m -76.4 45.55 0.39 Allowed 'General case' 0 N--CA 1.485 1.304 0 CA-C-N 120.82 1.645 . . . . 0.0 112.694 174.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 63.2 t30 43.39 48.3 5.96 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.969 2.508 . . . . 0.0 114.922 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.36 -145.62 19.2 Favored Glycine 0 CA--C 1.541 1.699 0 C-N-CA 123.845 0.735 . . . . 0.0 114.731 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -104.66 -173.58 2.34 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.692 1.997 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -108.27 126.63 53.04 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.942 0.897 . . . . 0.0 110.639 -174.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -128.17 147.11 50.55 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.388 1.475 . . . . 0.0 109.507 -169.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 81.2 p -76.39 152.27 36.33 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.441 -1.412 . . . . 0.0 112.29 -177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.55 -170.37 38.35 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 121.621 -0.674 . . . . 0.0 113.865 -174.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 138.14 52.1 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 124.493 1.117 . . . . 0.0 109.959 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -66.21 121.86 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 169.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.1 p -100.26 -26.84 13.78 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.621 0.768 . . . . 0.0 113.008 -178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.3 135.55 0.76 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.778 1.631 . . . . 0.0 113.165 176.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 17.2 t0 -64.3 103.76 0.67 Allowed 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.826 -1.171 . . . . 0.0 111.004 167.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.76 -51.2 75.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 124.691 1.196 . . . . 0.0 110.386 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 149.55 161.85 10.04 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 126.21 1.862 . . . . 0.0 111.297 -179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.74 -1.35 0.17 Allowed 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 117.008 2.225 . . . . 0.0 117.008 177.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.73 -4.36 27.62 Favored Glycine 0 CA--C 1.528 0.904 0 C-N-CA 125.336 1.446 . . . . 0.0 112.596 -169.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -79.17 135.81 36.92 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 120.383 2.091 . . . . 0.0 107.872 169.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -121.8 137.62 54.7 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.733 1.613 . . . . 0.0 109.344 173.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -71.26 122.82 20.93 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 127.295 2.238 . . . . 0.0 109.217 173.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.1 114.03 20.34 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.761 1.224 . . . . 0.0 112.076 -175.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 48.9 tp -84.41 102.84 13.07 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.308 1.443 . . . . 0.0 108.754 168.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -66.13 143.61 57.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.328 0.651 . . . . 0.0 111.194 173.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . 0.4 ' CG ' HH21 ' A' 1583 ' ' ARG . 51.5 m-20 -55.74 -23.36 28.81 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.888 0.875 . . . . 0.0 112.633 173.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -68.7 -12.76 61.81 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.874 . . . . 0.0 112.742 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.29 5.84 48.78 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 125.836 1.684 . . . . 0.0 114.877 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -100.2 157.3 16.68 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.189 1.796 . . . . 0.0 111.44 -175.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -132.8 138.36 47.09 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 121.177 -0.952 . . . . 0.0 111.784 169.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.85 157.69 43.44 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.999 0.92 . . . . 0.0 111.732 169.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.38 141.06 41.6 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.6 -1.313 . . . . 0.0 109.132 168.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 48.3 t -142.65 130.14 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.789 1.236 . . . . 0.0 109.482 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.73 148.24 47.26 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 120.769 -1.207 . . . . 0.0 112.458 173.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.18 -36.06 35.33 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.318 0.961 . . . . 0.0 114.195 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.63 -14.59 32.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.547 1.139 . . . . 0.0 113.484 177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -117.57 20.6 13.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.924 2.09 . . . . 0.0 112.53 -174.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.665 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -136.36 138.79 46.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.657 1.183 . . . . 0.0 109.293 177.474 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 66.0 mt -123.87 115.74 21.79 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 127.316 2.246 . . . . 0.0 109.391 -168.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.522 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.87 0.97 14.61 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 116.681 2.104 . . . . 0.0 116.681 -168.548 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 63.5 m -121.62 35.17 4.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.82 1.248 . . . . 0.0 109.512 173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.1 t0 -111.22 59.34 0.42 Allowed Pre-proline 0 CA--C 1.551 0.981 0 N-CA-C 117.692 2.478 . . . . 0.0 117.692 -167.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.22 125.06 12.94 Favored 'Trans proline' 0 CA--C 1.544 0.986 0 N-CA-C 102.538 -3.678 . . . . 0.0 102.538 160.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.455 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 9.7 mm -57.61 117.24 17.49 Favored Pre-proline 0 CA--C 1.545 0.784 0 O-C-N 121.569 -0.707 . . . . 0.0 111.689 -164.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.07 134.57 37.37 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.01 1.806 . . . . 0.0 111.668 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.646 ' H ' HD12 ' A' 1540 ' ' LEU . 4.0 mp -56.46 151.13 13.82 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.178 -1.374 . . . . 0.0 110.283 169.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 49.9 m-20 66.42 2.01 2.29 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.567 1.947 . . . . 0.0 115.418 -169.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.46 148.83 25.79 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 120.621 1.555 . . . . 0.0 111.655 169.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -89.13 135.37 33.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.947 0.899 . . . . 0.0 110.73 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 10.4 m -147.73 155.65 10.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.929 1.292 . . . . 0.0 112.226 -169.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.5 m -91.3 148.68 22.16 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.235 0.614 . . . . 0.0 109.447 167.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.66 131.62 46.45 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 127.139 2.176 . . . . 0.0 109.58 -172.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -111.93 131.65 55.25 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.467 1.507 . . . . 0.0 111.068 177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 24.1 m -104.53 158.15 16.68 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.229 1.014 . . . . 0.0 112.539 -170.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.54 -24.22 65.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.768 1.627 . . . . 0.0 112.945 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -98.46 16.91 20.29 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 126.327 1.851 . . . . 0.0 112.976 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 83.21 -5.75 1.22 Allowed 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 129.287 3.035 . . . . 0.0 116.438 169.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -57.31 149.76 19.57 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.444 1.02 . . . . 0.0 112.533 177.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 117.72 13.76 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.898 0.879 . . . . 0.0 110.69 174.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.1 p -152.83 176.77 11.45 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.502 1.121 . . . . 0.0 112.399 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -122.19 154.3 37.65 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -172.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.15 -160.35 17.05 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 126.742 2.115 . . . . 0.0 110.744 -169.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 51.4 t -135.91 135.79 50.35 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.994 0 O-C-N 121.469 -1.018 . . . . 0.0 111.595 -169.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 24.5 t -64.01 130.71 29.25 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.286 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -133.71 6.13 3.71 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.497 1.919 . . . . 0.0 114.062 175.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.09 175.39 45.38 Favored Glycine 0 N--CA 1.473 1.16 0 N-CA-C 115.326 0.89 . . . . 0.0 115.326 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.3 m80 -138.83 151.53 47.1 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.769 2.027 . . . . 0.0 111.602 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -144.68 147.46 33.07 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.732 1.613 . . . . 0.0 108.896 171.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -115.41 143.19 45.66 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.192 0.997 . . . . 0.0 109.744 168.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -140.14 163.98 31.28 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 127.021 2.129 . . . . 0.0 108.12 -174.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 67.0 m -47.62 94.93 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.844 1.257 . . . . 0.0 114.112 -176.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 62.56 28.8 71.95 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 125.097 1.332 . . . . 0.0 115.306 -172.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -145.1 150.21 36.4 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.538 1.669 . . . . 0.0 110.784 -169.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 63.5 tp -130.8 129.56 42.57 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.053 1.341 . . . . 0.0 110.239 -175.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -120.43 155.13 34.13 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.843 1.657 . . . . 0.0 112.255 -174.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.455 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 94.3 m-85 -132.85 124.75 28.53 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 126.665 1.986 . . . . 0.0 108.084 -178.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 41.0 t -79.67 114.53 18.66 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 169.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -101.54 129.7 52.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 176.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -86.25 103.01 14.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 106.989 -1.486 . . . . 0.0 106.989 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -123.2 125.83 45.84 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 124.91 1.284 . . . . 0.0 110.16 -173.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 53.19 25.68 4.5 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.117 0.967 . . . . 0.0 112.924 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 91.56 14.99 56.16 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.811 1.196 . . . . 0.0 115.11 -177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.84 119.95 28.07 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.922 1.289 . . . . 0.0 110.7 -169.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -80.11 105.13 11.15 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -126.6 134.78 50.71 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.159 1.783 . . . . 0.0 109.927 -168.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.4 m95 -78.42 124.27 27.94 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 121.495 -0.753 . . . . 0.0 111.896 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -125.22 153.48 43.06 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.909 1.284 . . . . 0.0 110.952 171.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 40.7 mttm -78.21 159.9 28.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.467 1.107 . . . . 0.0 111.138 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . 0.4 HH21 ' CG ' ' A' 1520 ' ' ASP . 32.3 ttp-105 -42.02 -60.26 1.48 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.45 1.1 . . . . 0.0 111.65 167.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.4 ptm -68.92 -14.14 62.86 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.36 -12.52 25.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.234 0.614 . . . . 0.0 112.118 177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 85.6 t -102.68 93.81 2.91 Favored 'Isoleucine or valine' 0 C--O 1.231 0.1 0 C-N-CA 125.749 1.62 . . . . 0.0 109.074 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.4 pt -101.56 141.29 18.28 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 124.391 1.076 . . . . 0.0 109.597 -173.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.43 135.82 43.37 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.789 1.236 . . . . 0.0 109.888 -171.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.62 154.85 27.83 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.541 -0.724 . . . . 0.0 109.142 167.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.8 pp -56.75 -36.77 70.17 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.851 -0.531 . . . . 0.0 112.123 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -75.05 -35.41 61.89 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 120.829 -1.17 . . . . 0.0 110.915 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -67.46 -37.44 82.92 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.283 -0.886 . . . . 0.0 111.742 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -76.38 -28.64 59.47 Favored Glycine 0 CA--C 1.534 1.281 0 C-N-CA 124.823 1.201 . . . . 0.0 113.909 175.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -62.8 -40.7 98.18 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.715 -1.462 . . . . 0.0 113.983 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -2.19 2.53 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 119.925 1.238 . . . . 0.0 114.001 174.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . 0.442 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 3.1 mt -104.54 -32.67 8.85 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.143 2.177 . . . . 0.0 111.353 173.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -46.31 -42.19 14.32 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 126.867 2.067 . . . . 0.0 113.361 177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.74 -33.78 24.42 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 176.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -112.63 -33.51 6.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 125.724 1.609 . . . . 0.0 112.126 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . 0.442 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.4 m-30 -105.54 -10.51 16.83 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -169.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -62.71 143.28 48.55 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 123.924 0.773 . . . . 0.0 113.331 -174.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.522 HD22 HD23 ' A' 1534 ' ' LEU . 2.3 mt -72.32 -40.35 67.51 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.829 1.314 . . . . 0.0 112.159 177.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.336 0 CA-C-O 116.45 -2.306 . . . . 0.0 116.002 -168.897 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 50.1 p . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.995 0.426 . . . . 0.0 111.913 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 7.0 t -153.52 -178.19 6.84 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.511 1.525 . . . . 0.0 111.394 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 8.7 t -137.03 144.89 43.48 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.348 1.859 . . . . 0.0 109.19 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -155.52 157.76 37.39 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.137 0.88 . . . . 0.0 113.224 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -65.2 174.81 1.87 Allowed 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.681 1.992 . . . . 0.0 114.376 -172.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 52.4 mttm -49.1 -43.29 41.15 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.29 1.836 . . . . 0.0 112.575 172.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.533 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 169.399 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.461 HD13 ' C ' ' B' ' 383' ' ' LEU . 3.0 tm? -66.02 119.99 12.34 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.461 1.028 . . . . 0.0 112.437 -171.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -157.81 135.17 10.3 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.899 1.679 . . . . 0.0 109.124 166.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -79.68 73.99 6.38 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.63 1.172 . . . . 0.0 113.725 -169.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -71.07 23.88 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.457 1.903 . . . . 0.0 113.301 170.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 23.4 p . . . . . 0 C--O 1.254 1.298 0 C-N-CA 128.166 2.587 . . . . 0.0 114.097 -175.649 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.028 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -149.43 168.61 22.97 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.547 1.539 . . . . 0.0 111.956 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 17.8 mmt -61.17 161.03 9.32 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.118 1.367 . . . . 0.0 113.209 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 49.1 t30 -143.98 170.91 15.02 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.027 1.731 . . . . 0.0 110.998 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.22 60.92 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.738 2.815 . . . . 0.0 115.769 -175.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 67.34 -52.03 0.49 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 127.396 2.278 . . . . 0.0 112.298 -172.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.0 t -62.15 107.75 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 C-N-CA 127.694 2.398 . . . . 0.0 110.351 -175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 121.96 -24.33 7.1 Favored Glycine 0 CA--C 1.543 1.81 0 C-N-CA 126.401 1.953 . . . . 0.0 114.237 -176.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.4 mt -77.68 132.21 38.09 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.262 1.425 . . . . 0.0 114.11 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -74.01 128.95 36.87 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.997 0.519 . . . . 0.0 110.169 165.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -149.55 -173.27 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 127.546 2.338 . . . . 0.0 108.155 -171.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.0 t -126.55 137.21 58.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 120.626 -1.296 . . . . 0.0 109.442 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.485 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -135.69 155.21 50.76 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.927 0.891 . . . . 0.0 111.752 -170.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 66.5 tttt -84.79 130.77 34.63 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.401 ' CE3' HH22 ' B' ' 382' ' ' MLY . 20.2 t-105 -76.82 121.53 23.5 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.432 0.634 . . . . 0.0 110.036 168.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 92.1 p -58.41 -23.18 56.59 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 117.965 2.58 . . . . 0.0 117.965 -166.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 37.3 m -77.11 55.51 1.16 Allowed 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 120.028 1.285 . . . . 0.0 112.547 177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 81.3 m-20 51.23 38.91 22.5 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.822 2.049 . . . . 0.0 113.671 -177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -95.09 -155.82 31.64 Favored Glycine 0 CA--C 1.537 1.409 0 CA-C-O 122.557 1.087 . . . . 0.0 115.623 -171.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.0 m-30 -106.55 -179.35 3.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 128.364 2.666 . . . . 0.0 110.226 -178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -91.87 117.59 29.93 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 124.021 0.928 . . . . 0.0 110.846 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -115.41 144.36 43.92 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.922 1.289 . . . . 0.0 109.477 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 88.0 p -72.8 152.84 41.37 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.984 -1.073 . . . . 0.0 111.166 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -175.31 -176.47 43.61 Favored Glycine 0 CA--C 1.523 0.556 0 O-C-N 121.942 -0.474 . . . . 0.0 112.861 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.99 136.0 53.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.603 1.161 . . . . 0.0 109.239 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.19 121.55 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 3.1 p -101.23 -26.69 13.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.918 0.887 . . . . 0.0 112.67 -175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.77 136.56 1.2 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.075 1.75 . . . . 0.0 113.075 174.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.6 103.49 0.68 Allowed 'General case' 0 N--CA 1.476 0.84 0 O-C-N 120.699 -1.25 . . . . 0.0 110.689 166.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -58.97 -52.3 62.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.336 1.055 . . . . 0.0 109.927 -176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 154.02 161.61 10.55 Favored Glycine 0 C--N 1.337 0.594 0 C-N-CA 124.686 1.136 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.84 4.46 0.17 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 173.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 123.26 -13.84 8.34 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 126.182 1.848 . . . . 0.0 113.145 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -80.04 138.18 36.95 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 120.301 2.05 . . . . 0.0 109.267 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -124.29 137.41 54.5 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.328 1.451 . . . . 0.0 109.728 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -72.24 122.45 21.1 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 127.171 2.188 . . . . 0.0 109.312 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.73 113.08 19.2 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.84 1.256 . . . . 0.0 112.465 -174.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 37.2 tp -83.82 101.18 11.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.171 1.388 . . . . 0.0 108.649 168.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -63.49 147.86 50.22 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.706 1.202 . . . . 0.0 111.67 172.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -65.92 -20.39 66.2 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -71.18 -6.91 43.04 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 170.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.14 -3.44 31.48 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.438 1.971 . . . . 0.0 114.488 171.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.443 ' CG ' HH21 ' B' ' 382' ' ' MLY . 37.5 m-85 -90.08 158.26 17.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.588 1.555 . . . . 0.0 112.569 -172.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -131.88 136.76 47.67 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.087 -1.008 . . . . 0.0 112.329 173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.88 158.0 43.85 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.241 1.016 . . . . 0.0 111.113 169.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -75.8 138.23 41.04 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.891 -1.131 . . . . 0.0 108.707 168.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 57.3 t -136.69 132.8 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.567 1.147 . . . . 0.0 108.639 -179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.23 147.24 52.5 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.08 -1.013 . . . . 0.0 111.507 176.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.37 -37.54 48.51 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.311 0.958 . . . . 0.0 114.508 -175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -33.23 68.53 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.851 -0.794 . . . . 0.0 111.622 176.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -91.76 18.08 8.13 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.469 1.907 . . . . 0.0 114.023 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.485 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -132.67 131.62 59.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 124.567 1.147 . . . . 0.0 108.896 178.21 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 4.5 mp -118.9 117.34 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.181 2.193 . . . . 0.0 107.833 -168.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.537 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -118.18 -0.45 11.56 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -168.775 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 43.6 t -117.86 44.71 2.12 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 106.85 -1.537 . . . . 0.0 106.85 170.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.98 16.01 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.761 1 N-CA-C 122.99 4.441 . . . . 0.0 122.99 -162.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -54.0 124.61 16.36 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 CA-C-N 124.431 2.618 . . . . 0.0 108.749 168.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.6 mm -58.84 123.44 68.37 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 123.07 0.548 . . . . 0.0 111.3 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -67.56 129.88 20.99 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.45 2.1 . . . . 0.0 110.719 177.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.699 ' H ' HD12 ' A' 1540 ' ' LEU . 2.9 mp -56.02 154.48 7.49 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.623 170.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 67.66 -2.11 1.45 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.714 2.006 . . . . 0.0 114.667 -169.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.32 148.3 28.39 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 121.054 1.752 . . . . 0.0 111.335 169.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -85.77 137.75 32.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.42 1.088 . . . . 0.0 110.42 178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 9.7 m -149.73 154.58 9.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.018 1.327 . . . . 0.0 112.085 -170.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 3.4 m -91.35 144.03 26.01 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 168.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -120.44 142.67 49.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.278 2.231 . . . . 0.0 110.128 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 8.6 mt -127.14 135.36 50.61 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.31 1.444 . . . . 0.0 111.696 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.3 m -104.58 155.1 19.13 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.714 0.806 . . . . 0.0 110.684 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -65.98 -23.27 66.55 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 121.397 -0.814 . . . . 0.0 112.415 178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -80.41 6.65 11.64 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 125.217 1.407 . . . . 0.0 113.376 169.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 88.8 -8.29 0.47 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 130.556 3.543 . . . . 0.0 116.289 169.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -56.25 146.93 22.14 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.505 1.048 . . . . 0.0 112.347 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.91 125.88 22.72 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.839 0.855 . . . . 0.0 111.662 174.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 6.4 p -155.47 177.03 11.83 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.593 1.157 . . . . 0.0 112.14 171.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.63 155.79 33.03 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -173.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.63 -159.28 16.22 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 126.29 1.9 . . . . 0.0 111.044 -169.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 48.2 t -135.55 135.78 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 121.484 -1.01 . . . . 0.0 111.38 -169.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.8 t -65.04 128.78 28.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.888 178.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -133.31 8.58 3.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.597 1.959 . . . . 0.0 113.928 177.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -173.6 174.37 46.12 Favored Glycine 0 N--CA 1.474 1.169 0 O-C-N 121.442 -0.786 . . . . 0.0 115.019 174.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.7 m80 -136.72 151.63 49.46 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.174 2.19 . . . . 0.0 111.374 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 60.8 ttt180 -148.49 153.17 38.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.171 1.388 . . . . 0.0 110.492 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -126.42 112.65 15.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.766 1.626 . . . . 0.0 108.335 172.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -141.53 139.41 33.23 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.816 1.246 . . . . 0.0 109.335 -170.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 65.6 m 49.73 26.05 1.72 Allowed 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 115.004 1.483 . . . . 0.0 115.004 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 73.37 30.03 63.17 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.4 1.0 . . . . 0.0 114.504 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -143.7 164.63 29.9 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.37 1.585 . . . . 0.0 111.655 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.9 tp -100.72 133.35 45.31 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 122.21 1.005 . . . . 0.0 112.961 -167.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -125.9 157.95 36.38 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 126.985 2.114 . . . . 0.0 112.796 -175.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -137.3 126.41 24.49 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 126.645 1.978 . . . . 0.0 108.888 -175.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.8 t -81.55 112.08 18.45 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 105.734 -1.95 . . . . 0.0 105.734 168.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -97.52 128.78 48.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -86.41 100.9 12.66 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 169.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -121.03 125.29 46.96 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.955 1.302 . . . . 0.0 109.996 -171.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 52.89 25.82 4.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 124.364 1.066 . . . . 0.0 113.184 -172.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 92.4 14.07 56.23 Favored Glycine 0 CA--C 1.54 1.612 0 C-N-CA 124.813 1.197 . . . . 0.0 115.056 -177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -126.66 120.3 29.13 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.113 1.365 . . . . 0.0 110.451 -169.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -79.71 106.0 11.42 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 118.998 0.817 . . . . 0.0 109.065 177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -129.11 134.85 48.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.269 1.828 . . . . 0.0 111.038 -167.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.6 m95 -78.85 126.19 30.37 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.415 -0.803 . . . . 0.0 112.491 -178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -128.28 157.05 41.99 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.585 1.554 . . . . 0.0 111.477 171.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -81.1 157.89 25.21 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.005 1.322 . . . . 0.0 110.477 -178.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -44.46 -55.14 5.29 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 124.494 1.118 . . . . 0.0 112.5 169.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.7 ptm -71.95 -15.63 62.08 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.28 -10.43 46.89 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.55 0.74 . . . . 0.0 112.187 174.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 92.9 t -105.33 93.01 2.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 125.417 1.487 . . . . 0.0 108.89 177.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.1 pt -98.74 148.64 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.54 1.136 . . . . 0.0 109.918 -174.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 11.0 mt -111.38 128.96 56.14 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.529 1.132 . . . . 0.0 110.431 -169.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.66 156.01 6.86 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 117.96 0.345 . . . . 0.0 111.086 170.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -56.76 -37.72 71.44 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.772 -0.58 . . . . 0.0 111.881 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -75.51 -38.24 59.58 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 121.193 -0.942 . . . . 0.0 110.804 -178.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -63.51 -50.31 70.11 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.738 0.415 . . . . 0.0 110.674 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.36 77.75 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 124.458 1.028 . . . . 0.0 113.524 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 8.8 m-80 -54.03 -42.87 69.63 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 119.377 1.588 . . . . 0.0 113.031 169.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 6.2 mtt-85 -61.84 -18.0 58.44 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 119.799 1.181 . . . . 0.0 113.783 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.8 mp -94.94 -33.32 12.82 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.329 1.452 . . . . 0.0 110.835 173.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -56.39 -40.68 75.03 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.637 1.575 . . . . 0.0 111.533 -174.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -53.31 -31.89 46.25 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -112.34 -30.8 7.04 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 124.457 1.103 . . . . 0.0 111.791 -173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -105.8 -13.83 15.41 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -170.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -48.21 138.58 12.42 Favored Glycine 0 CA--C 1.543 1.784 0 C-N-CA 125.466 1.508 . . . . 0.0 113.821 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.537 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -70.48 -36.12 73.68 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.823 1.311 . . . . 0.0 111.651 174.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 C-N-CA 126.359 1.933 . . . . 0.0 114.419 -169.601 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 15.2 t -151.41 156.42 40.65 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 124.603 1.161 . . . . 0.0 111.866 178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 66.6 m -71.64 120.52 17.35 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.298 1.039 . . . . 0.0 110.099 169.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -154.0 153.06 31.29 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 118.948 0.795 . . . . 0.0 112.213 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -67.64 171.26 6.54 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.824 0.85 . . . . 0.0 113.085 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -58.67 -19.72 41.91 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 116.813 2.153 . . . . 0.0 116.813 -174.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . 0.443 HH21 ' CG ' ' A' 1523 ' ' TYR . . . . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 174.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.443 HD13 ' C ' ' B' ' 383' ' ' LEU . 2.8 tm? -54.83 127.97 30.92 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.534 1.134 . . . . 0.0 112.689 -172.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 10.8 tpt -160.6 164.74 31.67 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.28 1.432 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -128.02 156.41 42.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.274 1.43 . . . . 0.0 113.235 -169.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 43.7 tttp -139.13 27.9 2.33 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.277 1.831 . . . . 0.0 111.288 174.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 18.9 p . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.353 2.261 . . . . 0.0 113.875 -177.019 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.246 -0.342 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -72.3 -23.16 61.13 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.311 1.226 . . . . 0.0 114.311 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 77.7 mtm -141.94 167.72 21.46 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.957 1.703 . . . . 0.0 111.78 -176.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 41.3 t30 -143.94 118.67 9.85 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 125.667 1.587 . . . . 0.0 109.872 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 80.1 p 25.97 -90.25 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 128.29 2.636 . . . . 0.0 115.221 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -134.53 -40.35 0.8 Allowed 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.019 2.528 . . . . 0.0 109.188 171.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.1 t -66.19 107.43 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 125.097 1.359 . . . . 0.0 111.397 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 120.81 -23.08 7.94 Favored Glycine 0 CA--C 1.542 1.732 0 C-N-CA 126.534 2.016 . . . . 0.0 113.582 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 34.4 mt -70.56 134.57 47.78 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -177.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -80.26 125.13 29.48 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.737 1.215 . . . . 0.0 109.221 169.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 17.3 m -147.35 179.92 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.316 1.846 . . . . 0.0 109.585 -169.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 1.6 t -125.17 130.34 73.07 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 O-C-N 120.49 -1.381 . . . . 0.0 108.791 175.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.627 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -130.3 156.26 44.95 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 124.233 1.013 . . . . 0.0 111.931 -169.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 68.9 tttt -85.15 130.54 34.59 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 16.7 t-105 -77.87 135.5 37.91 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.425 0.631 . . . . 0.0 110.937 169.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 79.1 p -66.53 -13.56 61.12 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 118.954 2.946 . . . . 0.0 118.954 -165.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 20.0 m -72.37 40.01 0.08 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.933 1.697 . . . . 0.0 113.371 172.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 62.5 t30 43.93 44.51 5.97 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.045 2.138 . . . . 0.0 113.168 -168.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -90.48 -151.48 25.97 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 122.481 1.045 . . . . 0.0 113.776 -173.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.484 ' CD2' ' HA ' ' A' 1589 ' ' SER . 7.6 m-30 -105.81 -175.04 2.68 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 126.811 2.044 . . . . 0.0 108.979 -178.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -97.24 122.71 40.57 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.141 0.977 . . . . 0.0 110.946 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -119.05 142.99 47.36 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.791 1.636 . . . . 0.0 108.902 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 86.0 p -74.13 150.35 40.53 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.823 -1.173 . . . . 0.0 111.902 -177.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -173.6 -172.23 38.82 Favored Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.214 0.435 . . . . 0.0 113.781 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.07 137.84 54.19 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.547 1.139 . . . . 0.0 109.943 176.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.8 mp -68.76 124.79 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.6 p -103.69 -25.82 13.0 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.335 1.054 . . . . 0.0 112.259 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.54 149.91 5.87 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.249 1.42 . . . . 0.0 112.442 176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -81.06 102.24 10.1 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.747 1.219 . . . . 0.0 109.01 167.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.4 -51.15 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.176 0.991 . . . . 0.0 110.635 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 150.42 163.86 11.51 Favored Glycine 0 CA--C 1.528 0.896 0 C-N-CA 126.358 1.932 . . . . 0.0 111.67 177.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 60.59 -2.75 0.16 Allowed 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 116.979 2.214 . . . . 0.0 116.979 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 113.8 -5.66 24.17 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.148 1.356 . . . . 0.0 112.66 -168.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -78.79 138.01 38.0 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 120.346 2.073 . . . . 0.0 108.589 169.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -124.85 137.47 54.29 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.616 1.566 . . . . 0.0 108.718 173.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -76.67 127.48 32.87 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.991 1.317 . . . . 0.0 109.892 174.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.41 HD21 HD13 ' A' 1532 ' ' ILE . 4.1 mm? -121.74 114.73 21.51 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.275 1.43 . . . . 0.0 112.431 -171.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 55.1 tp -84.34 97.66 9.59 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 125.275 1.43 . . . . 0.0 110.116 168.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -63.94 148.64 49.07 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.231 1.012 . . . . 0.0 111.789 173.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -64.43 -21.11 66.55 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -70.99 -10.62 60.07 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 109.64 -3.51 30.73 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 126.997 2.237 . . . . 0.0 113.675 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -83.15 157.54 22.74 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.771 1.228 . . . . 0.0 112.392 -174.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -139.17 133.42 31.41 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.054 0.941 . . . . 0.0 112.045 177.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.0 t -152.71 162.35 41.37 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.92 1.288 . . . . 0.0 110.571 169.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.92 137.94 42.04 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.115 0.966 . . . . 0.0 109.876 169.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 91.2 t -136.9 132.83 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.712 1.205 . . . . 0.0 108.821 177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.99 148.43 49.67 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.147 -0.971 . . . . 0.0 111.419 174.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.42 -35.37 43.9 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.266 0.936 . . . . 0.0 113.912 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.35 -22.86 61.93 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.764 0.826 . . . . 0.0 112.909 176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -107.28 18.84 21.13 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.632 1.973 . . . . 0.0 112.876 -174.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -134.82 137.15 51.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.545 1.138 . . . . 0.0 108.956 178.692 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.1 mt -122.03 113.86 20.14 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.233 2.213 . . . . 0.0 109.298 -169.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.531 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -113.34 1.28 15.08 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -168.405 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 17.7 t -123.3 37.73 4.35 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.835 1.254 . . . . 0.0 109.114 174.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 47.9 t0 -113.84 59.33 0.85 Allowed Pre-proline 0 CA--C 1.55 0.965 0 N-CA-C 117.345 2.35 . . . . 0.0 117.345 -166.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -67.73 125.29 13.01 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 N-CA-C 102.688 -3.62 . . . . 0.0 102.688 160.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.467 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 10.3 mm -57.91 116.83 15.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 118.818 0.735 . . . . 0.0 111.413 -164.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.91 130.99 24.34 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.257 1.972 . . . . 0.0 110.658 -174.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.679 ' H ' HD12 ' A' 1540 ' ' LEU . 3.2 mp -56.53 150.68 14.9 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 114.164 -1.38 . . . . 0.0 110.469 171.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 38.7 m-20 71.24 -0.5 3.07 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.869 2.068 . . . . 0.0 114.868 -169.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.72 147.34 27.7 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.565 1.529 . . . . 0.0 112.13 170.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -74.28 136.26 42.64 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.175 0.99 . . . . 0.0 110.245 173.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 17.9 m -147.54 154.53 11.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 124.684 1.194 . . . . 0.0 112.185 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 1.8 m -90.83 147.34 23.25 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 167.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -125.33 139.22 53.88 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.009 2.123 . . . . 0.0 110.289 -177.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.89 134.7 54.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.268 1.827 . . . . 0.0 110.915 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 15.7 m -106.31 154.91 20.09 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.964 0.905 . . . . 0.0 111.561 -175.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -64.29 -23.45 67.31 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 176.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -83.69 10.52 9.12 Favored 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 125.225 1.41 . . . . 0.0 113.152 170.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 85.46 -8.35 0.83 Allowed 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 130.049 3.34 . . . . 0.0 116.149 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -56.96 146.93 25.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.548 1.067 . . . . 0.0 112.595 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.57 123.74 24.34 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.469 1.108 . . . . 0.0 110.68 174.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.2 p -152.95 176.46 11.83 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.158 0.983 . . . . 0.0 112.829 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.35 152.35 37.98 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 -174.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.12 -158.04 13.36 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 126.273 1.892 . . . . 0.0 110.858 -170.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 61.6 t -138.01 137.87 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.943 0 O-C-N 121.558 -0.966 . . . . 0.0 111.537 -171.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 39.2 t -65.69 130.04 30.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.351 -0.539 . . . . 0.0 111.737 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -133.69 9.87 3.96 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.613 1.965 . . . . 0.0 114.391 175.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -174.03 173.16 45.81 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 119.458 1.026 . . . . 0.0 115.277 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.6 m80 -134.62 146.65 49.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.979 2.112 . . . . 0.0 111.748 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -144.86 158.55 43.75 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.395 1.478 . . . . 0.0 109.708 176.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -129.49 119.86 24.45 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 125.653 1.581 . . . . 0.0 108.594 173.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -140.63 130.91 25.06 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 122.587 0.355 . . . . 0.0 111.131 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 45.8 m 48.71 32.09 3.39 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.18 32.09 40.34 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.467 -0.771 . . . . 0.0 114.234 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -141.26 151.55 43.8 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 125.378 1.471 . . . . 0.0 109.27 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 20.7 tp -93.67 142.29 27.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.853 1.261 . . . . 0.0 110.705 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -131.76 156.01 46.71 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 126.551 1.94 . . . . 0.0 110.995 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.467 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 96.9 m-85 -133.87 124.5 26.56 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.601 1.56 . . . . 0.0 108.294 -177.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 42.2 t -78.89 115.68 18.73 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 169.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.09 129.73 53.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.05 109.3 18.72 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.067 -1.457 . . . . 0.0 107.067 170.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.46 117.07 19.94 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 124.824 1.249 . . . . 0.0 108.761 -170.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 51.76 33.01 10.34 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.08 1.352 . . . . 0.0 112.633 -168.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 88.45 12.3 65.16 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.473 1.035 . . . . 0.0 115.068 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -119.2 119.04 32.96 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 109.724 -171.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -80.7 105.66 12.11 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 119.119 0.872 . . . . 0.0 108.978 177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -127.94 133.51 49.25 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.784 1.634 . . . . 0.0 110.71 -167.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 84.9 m95 -78.67 123.53 27.23 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 121.702 -0.624 . . . . 0.0 111.717 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -124.71 153.54 42.2 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.107 1.363 . . . . 0.0 110.569 172.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -77.01 156.65 31.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 123.857 0.863 . . . . 0.0 110.298 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -41.1 -57.86 1.93 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.679 1.192 . . . . 0.0 111.995 168.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -71.38 -18.24 62.37 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -87.0 -8.29 57.33 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.718 0.807 . . . . 0.0 112.276 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.2 t -109.19 108.92 26.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 C-N-CA 125.487 1.515 . . . . 0.0 109.066 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.6 pt -116.31 140.24 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.483 1.113 . . . . 0.0 109.812 -170.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.7 mt -98.67 116.54 31.13 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.293 1.037 . . . . 0.0 110.081 -170.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.484 ' HA ' ' CD2' ' A' 1500 ' ' TYR . 0.0 OUTLIER -53.0 144.89 14.0 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.915 0.886 . . . . 0.0 110.428 171.744 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -55.85 -38.21 69.77 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 -167.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.95 -39.26 93.23 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.232 -0.917 . . . . 0.0 111.617 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -69.35 -27.34 65.25 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 124.935 1.294 . . . . 0.0 113.233 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -80.69 -33.78 29.76 Favored Glycine 0 CA--C 1.537 1.466 0 CA-C-N 119.614 1.097 . . . . 0.0 112.61 168.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -59.05 -48.85 80.12 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.005 -1.291 . . . . 0.0 113.313 175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -62.0 -3.3 1.16 Allowed 'General case' 0 N--CA 1.484 1.266 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 176.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . 0.418 ' HB3' ' CD2' ' A' 1600 ' ' TYR . 1.1 mt -105.44 -34.78 7.71 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.449 1.9 . . . . 0.0 111.262 172.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.8 ttp85 -46.06 -39.24 8.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 127.529 2.331 . . . . 0.0 113.132 178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -51.69 -35.25 41.97 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -112.51 -33.91 6.01 Favored 'General case' 0 N--CA 1.435 -1.195 0 C-N-CA 125.993 1.717 . . . . 0.0 111.718 -175.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . 0.418 ' CD2' ' HB3' ' A' 1596 ' ' LEU . 10.0 m-30 -102.49 -11.64 18.41 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 -169.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.11 139.71 48.54 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.262 0.934 . . . . 0.0 112.828 -177.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.531 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -69.4 -39.36 78.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.752 1.276 . . . . 0.0 111.967 176.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 CA-C-O 116.576 -2.235 . . . . 0.0 115.337 -168.705 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 111.522 0.193 . . . . 0.0 111.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 30.8 p -145.23 151.39 38.32 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.117 1.367 . . . . 0.0 112.389 -178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 69.5 m 6.13 92.59 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 129.624 3.17 . . . . 0.0 116.102 168.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.78 163.67 32.27 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.137 0.975 . . . . 0.0 113.206 -177.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -64.2 178.63 0.66 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.69 1.596 . . . . 0.0 113.542 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -51.94 -36.25 48.61 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 126.064 1.746 . . . . 0.0 113.656 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 177.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.497 HD12 ' H ' ' B' ' 384' ' ' MET . 15.2 tp -63.4 135.07 56.71 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.647 1.112 . . . . 0.0 113.721 -168.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . 0.497 ' H ' HD12 ' B' ' 383' ' ' LEU . 2.4 mmt -151.41 148.16 27.77 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 126.876 2.07 . . . . 0.0 112.092 -166.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -148.21 157.62 43.6 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.493 1.117 . . . . 0.0 112.932 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -132.66 23.39 4.32 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.515 1.926 . . . . 0.0 111.95 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.278 2.231 . . . . 0.0 113.82 -177.903 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 112.604 -0.198 . . . . 0.0 112.604 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t60 -148.32 161.81 40.78 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 125.453 1.501 . . . . 0.0 111.741 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 14.5 tpt -152.61 147.9 26.69 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.545 1.538 . . . . 0.0 111.08 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 50.9 t30 -146.71 168.19 21.95 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.766 1.226 . . . . 0.0 111.45 176.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 1.3 p -65.59 64.98 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 128.571 2.748 . . . . 0.0 114.894 -177.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 67.8 -57.99 0.45 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 127.716 2.407 . . . . 0.0 112.131 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 18.7 t -45.61 99.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 C-N-CA 129.816 3.246 . . . . 0.0 111.231 173.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 126.6 -21.28 6.0 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.627 1.584 . . . . 0.0 114.284 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.9 mp -79.5 140.46 37.28 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.293 1.437 . . . . 0.0 112.116 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -79.65 128.74 33.77 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.365 1.066 . . . . 0.0 109.695 168.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.9 m -150.42 176.44 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 126.646 1.978 . . . . 0.0 108.831 -170.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.5 t -118.72 138.66 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 120.426 -1.421 . . . . 0.0 108.73 173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.604 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -138.62 159.39 42.22 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 120.437 -1.414 . . . . 0.0 112.108 -169.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 72.9 tttt -84.59 128.54 34.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.261 0.553 . . . . 0.0 109.949 173.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -77.6 89.65 3.92 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 167.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 48.6 p -59.48 -26.63 65.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.602 1.161 . . . . 0.0 113.906 -170.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 61.7 m -69.64 -7.87 42.69 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -146.24 -38.07 0.24 Allowed 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 116.778 2.14 . . . . 0.0 116.778 171.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.72 -28.16 1.04 Allowed Glycine 0 N--CA 1.48 1.592 0 N-CA-C 120.17 2.828 . . . . 0.0 120.17 170.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 2.6 m-30 -105.15 177.52 4.83 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.46 2.63 . . . . 0.0 112.164 -168.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -114.65 127.41 55.75 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.793 1.237 . . . . 0.0 111.929 -168.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -133.11 148.09 52.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.47 1.508 . . . . 0.0 110.166 -170.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 75.9 p -74.63 151.68 39.3 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.093 -1.004 . . . . 0.0 112.422 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -176.71 -169.1 37.62 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 123.428 0.537 . . . . 0.0 113.959 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 134.25 48.18 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.179 1.792 . . . . 0.0 109.345 -176.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.23 128.16 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 169.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 2.4 p -109.54 -26.92 9.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.156 0.982 . . . . 0.0 112.7 -175.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.38 161.23 18.8 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.736 1.614 . . . . 0.0 111.788 177.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 13.2 t0 -97.15 101.09 12.58 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.847 1.659 . . . . 0.0 107.738 173.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -60.4 -49.61 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 C-N-CA 123.587 0.755 . . . . 0.0 110.644 -173.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.31 168.05 12.3 Favored Glycine 0 CA--C 1.528 0.882 0 C-N-CA 126.349 1.928 . . . . 0.0 110.758 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 59.05 0.89 0.18 Allowed 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.08 36.41 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 125.759 1.647 . . . . 0.0 112.748 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 45.0 mtpt -79.86 136.14 36.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 120.34 2.07 . . . . 0.0 108.512 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -121.43 138.05 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.961 1.304 . . . . 0.0 109.042 173.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -70.37 122.13 19.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.558 1.543 . . . . 0.0 108.644 173.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.498 HD21 HD13 ' A' 1532 ' ' ILE . 3.9 mm? -119.73 115.37 23.78 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.057 1.343 . . . . 0.0 111.728 -175.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 59.5 tp -83.84 104.32 13.83 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.821 1.248 . . . . 0.0 108.936 169.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -68.42 152.62 45.15 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 124.097 0.959 . . . . 0.0 112.059 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -64.84 -22.29 66.96 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.704 1.001 . . . . 0.0 113.704 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 56.9 p30 -74.96 -2.83 28.87 Favored 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 171.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 104.45 -0.98 42.98 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 126.33 1.919 . . . . 0.0 115.119 169.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -87.68 157.32 19.11 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.648 1.579 . . . . 0.0 112.645 -173.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -135.93 133.73 37.95 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.969 0.908 . . . . 0.0 112.563 176.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 39.0 t -151.83 168.41 25.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.368 1.067 . . . . 0.0 111.39 172.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.84 100.67 12.51 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 127.881 2.472 . . . . 0.0 109.818 -174.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.4 t -105.85 130.66 56.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.191 0.996 . . . . 0.0 109.435 -172.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.76 144.93 53.94 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.049 -1.032 . . . . 0.0 111.601 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.28 -37.44 31.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.414 1.007 . . . . 0.0 112.952 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -32.9 54.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.667 0.787 . . . . 0.0 112.864 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -102.65 20.94 16.25 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 128.023 2.529 . . . . 0.0 112.943 -172.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.604 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -131.32 134.95 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 C-N-CA 125.049 1.34 . . . . 0.0 107.542 175.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 38.1 mt -121.58 106.16 11.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.726 2.41 . . . . 0.0 109.726 -165.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.526 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -107.43 1.92 23.92 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -168.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 47.0 m -124.2 33.66 5.22 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.968 1.307 . . . . 0.0 109.443 174.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.7 t0 -111.56 55.69 0.41 Allowed Pre-proline 0 CA--C 1.546 0.796 0 N-CA-C 117.461 2.393 . . . . 0.0 117.461 -167.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.42 125.99 16.09 Favored 'Trans proline' 0 CA--C 1.544 1.025 0 N-CA-C 102.539 -3.677 . . . . 0.0 102.539 160.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.487 ' HB ' ' CE2' ' A' 1570 ' ' TYR . 13.5 mm -57.47 116.41 13.83 Favored Pre-proline 0 N--CA 1.472 0.67 0 O-C-N 121.722 -0.611 . . . . 0.0 111.451 -164.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -65.46 133.0 33.01 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.835 1.69 . . . . 0.0 110.791 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.713 ' H ' HD12 ' A' 1540 ' ' LEU . 2.4 mp -58.49 150.52 22.44 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.917 -1.492 . . . . 0.0 109.622 173.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 31.2 m-20 69.83 -0.19 2.79 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.397 2.279 . . . . 0.0 114.768 -169.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.36 151.89 26.47 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.47 1.486 . . . . 0.0 111.64 169.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -89.89 139.84 30.2 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 123.731 0.812 . . . . 0.0 109.998 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 8.7 m -152.15 153.57 9.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 124.266 1.026 . . . . 0.0 111.8 -171.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 2.7 m -91.08 146.82 23.53 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 168.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.4 132.67 47.07 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.099 2.16 . . . . 0.0 109.707 -172.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -116.14 135.79 53.6 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.992 1.717 . . . . 0.0 111.478 -177.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 42.9 m -104.92 155.77 18.63 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.588 -0.695 . . . . 0.0 111.552 -174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -65.19 -25.47 67.73 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.36 -0.838 . . . . 0.0 112.293 176.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -81.0 7.8 9.92 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.39 1.476 . . . . 0.0 113.275 169.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 89.4 -11.82 0.38 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 130.623 3.569 . . . . 0.0 116.646 169.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -56.56 151.12 14.15 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.693 1.133 . . . . 0.0 113.263 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.07 124.59 22.16 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.324 1.05 . . . . 0.0 111.101 176.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.2 p -153.51 177.34 11.03 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.814 1.246 . . . . 0.0 112.614 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -120.61 153.64 36.53 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -176.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.28 -162.29 22.32 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.257 1.884 . . . . 0.0 111.587 -170.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 62.3 t -136.47 134.17 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 O-C-N 121.261 -1.141 . . . . 0.0 111.57 -170.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 34.5 t -63.88 131.18 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 122.177 -0.327 . . . . 0.0 111.509 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 88.0 mttt -135.06 14.28 3.56 Favored 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 125.831 1.652 . . . . 0.0 114.8 171.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -175.99 177.11 47.71 Favored Glycine 0 N--CA 1.473 1.158 0 O-C-N 121.232 -0.918 . . . . 0.0 115.373 176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -140.5 149.71 42.84 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.939 2.096 . . . . 0.0 111.687 -178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -142.08 147.09 36.21 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.751 1.62 . . . . 0.0 109.175 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -122.76 148.04 45.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.864 1.266 . . . . 0.0 109.837 170.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -140.51 164.25 30.64 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 126.091 1.756 . . . . 0.0 107.49 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 4.0 m -41.89 -15.04 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 119.381 3.104 . . . . 0.0 119.381 -167.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . -162.12 22.22 0.2 Allowed Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.205 1.383 . . . . 0.0 113.903 167.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -148.19 161.77 40.79 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.128 1.464 . . . . 0.0 113.067 -171.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 57.8 tp -129.42 139.39 51.66 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 125.406 1.482 . . . . 0.0 110.533 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -130.39 157.26 43.07 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 126.172 1.789 . . . . 0.0 112.624 -172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.487 ' CE2' ' HB ' ' A' 1538 ' ' ILE . 92.1 m-85 -132.36 129.52 39.52 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 126.015 1.726 . . . . 0.0 108.446 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 46.3 t -81.03 110.7 16.81 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 169.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.2 mm -97.82 130.74 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -85.94 109.26 18.63 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 169.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.54 116.83 20.26 Favored 'General case' 0 N--CA 1.462 0.175 0 C-N-CA 124.541 1.136 . . . . 0.0 108.181 -169.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 51.37 32.89 9.09 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.13 1.372 . . . . 0.0 113.15 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 90.1 11.36 63.24 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 124.66 1.124 . . . . 0.0 114.908 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -119.39 123.0 43.05 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.151 1.381 . . . . 0.0 110.283 -171.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -78.08 114.16 16.7 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.96 1.254 . . . . 0.0 108.978 173.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -132.8 133.07 42.91 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.764 1.626 . . . . 0.0 109.844 -168.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 83.4 m95 -79.1 125.39 29.35 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 121.81 -0.556 . . . . 0.0 111.798 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -127.42 153.11 46.66 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.563 1.145 . . . . 0.0 111.292 172.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 49.1 mttm -75.41 160.21 30.51 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.08 0.952 . . . . 0.0 110.587 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -46.56 -57.39 4.79 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 124.053 0.941 . . . . 0.0 111.944 168.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 24.8 ptm -69.77 -12.28 61.51 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 -178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -95.26 -14.81 23.68 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 123.581 0.752 . . . . 0.0 112.538 176.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.1 t -100.02 92.53 2.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 125.841 1.656 . . . . 0.0 108.43 178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.5 pt -99.44 142.46 15.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.908 1.283 . . . . 0.0 109.747 -173.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 13.3 mt -101.96 134.11 45.69 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.981 1.312 . . . . 0.0 109.524 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.1 162.03 12.36 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.673 -0.642 . . . . 0.0 110.778 169.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.8 pp -58.64 -36.2 73.73 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.35 -0.844 . . . . 0.0 113.086 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -75.44 -25.51 57.54 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.468 -0.77 . . . . 0.0 110.777 -178.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 45.1 mm-40 -76.55 -47.21 23.32 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.857 0.863 . . . . 0.0 110.721 169.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.5 -38.55 43.07 Favored Glycine 0 N--CA 1.476 1.316 0 C-N-CA 125.707 1.623 . . . . 0.0 113.296 171.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -55.51 -50.33 70.23 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.264 -1.139 . . . . 0.0 113.744 173.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.6 mtt85 -58.66 -5.74 0.62 Allowed 'General case' 0 N--CA 1.489 1.502 0 C-N-CA 125.347 1.459 . . . . 0.0 114.769 175.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 19.0 mt -119.42 -29.06 5.23 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.199 1.8 . . . . 0.0 109.86 -173.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -55.39 -38.16 68.53 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-N 119.905 1.229 . . . . 0.0 111.469 173.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -55.11 -38.62 68.38 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -177.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -112.83 -34.35 5.8 Favored 'General case' 0 N--CA 1.433 -1.321 0 C-N-CA 125.127 1.371 . . . . 0.0 111.839 -174.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 8.1 m-30 -104.94 -11.55 16.63 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.766 1.226 . . . . 0.0 114.258 -170.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -52.54 135.37 37.61 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.199 1.381 . . . . 0.0 112.539 177.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.526 HD22 HD23 ' A' 1534 ' ' LEU . 2.2 mt -68.15 -39.8 82.56 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.579 1.189 . . . . 0.0 111.394 174.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 C-N-CA 125.063 1.316 . . . . 0.0 113.419 -169.939 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 376' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.474 0.654 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 377' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.17 10.16 1.7 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -168.358 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 378' ' ' SER . . . . . . . . . . . . . 94.6 p -147.54 19.74 1.18 Allowed 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 -169.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 379' ' ' ARG . . . . . . . . . . . . . 1.3 tpp85 -143.72 153.64 42.66 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -168.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 380' ' ' HIS . . . . . . . . . . . . . 29.4 t60 -66.96 170.18 7.12 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 127.288 2.235 . . . . 0.0 114.121 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 381' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -69.84 -10.18 57.51 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -170.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 382' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 170.208 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 383' ' ' LEU . . . . . 0.408 ' C ' HD23 ' B' ' 383' ' ' LEU . 1.4 tt -62.85 146.45 52.69 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.469 1.107 . . . . 0.0 110.525 175.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 384' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -157.6 -34.77 0.07 Allowed 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 117.673 2.471 . . . . 0.0 117.673 168.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 385' ' ' PHE . . . . . . . . . . . . 0.278 60.7 m-85 80.83 54.06 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.41 1.884 . . . . 0.0 114.7 -179.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 386' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -68.25 -15.46 63.58 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 124.433 1.093 . . . . 0.0 112.45 168.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 387' ' ' THR . . . . . . . . . . . . . 20.6 p . . . . . 0 C--O 1.252 1.231 0 C-N-CA 129.383 3.073 . . . . 0.0 114.701 175.631 . . . . . . . . 0 0 . 1 stop_ save_