data_2lvm_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 2lvm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.0 t-105 . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1549 ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' 1551 ' ' GLU . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' 1549 ' ' GLU 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1582 ' ' LYS . . . . . 0.503 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1584 ' ' MET . . . . . 0.503 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.395 0.617 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.9 t-105 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.371 0.605 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 57.8 t-105 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.331 0.586 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.2 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1501 ' ' PHE . . . . . 0.408 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1593 ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 119.693 -0.194 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1582 ' ' LYS . . . . . 0.455 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1584 ' ' MET . . . . . 0.455 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.939 0.399 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1501 ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1593 ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1500 ' ' TYR . . . . . 0.459 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.158 0.504 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1589 ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 . . . . . 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.5 t-105 . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.101 0.477 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 36.5 t-105 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.4 0.619 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.572 -0.252 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.716 0.769 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1552 ' ' TYR . . . . . 0.462 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.884 0.849 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.225 -0.198 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 121.207 0.527 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.456 0.646 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.467 0.375 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.821 0.82 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.1 t-105 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.7 m-30 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.217 0.532 . . . . 0.0 111.823 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1501 ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1590 ' ' LEU . . . . . 0.405 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.365 0.602 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 43.6 t-105 . . . . . 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.077 0.465 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -150.24 150.41 31.52 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.883 1.273 . . . . 0.0 108.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -149.66 168.51 23.39 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.927 1.691 . . . . 0.0 108.632 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -133.72 150.21 51.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 125.106 1.362 . . . . 0.0 108.002 170.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 37.1 m -61.4 102.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.436 1.094 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 63.3 -64.22 0.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 127.847 2.459 . . . . 0.0 113.672 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -73.56 111.55 8.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.0 m -56.19 -15.71 4.19 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -76.33 49.66 0.6 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.945 1.248 . . . . 0.0 110.923 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 38.34 49.35 1.32 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.547 2.739 . . . . 0.0 113.782 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -103.33 -164.88 25.54 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 123.83 0.729 . . . . 0.0 112.589 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -81.77 -178.77 7.12 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.089 1.356 . . . . 0.0 111.765 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1549 ' ' GLU . . . . . 0.444 ' C ' ' H ' ' A' 1551 ' ' GLU . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' 1549 ' ' GLU 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1582 ' ' LYS . . . . . 0.503 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1584 ' ' MET . . . . . 0.503 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.29 -42.85 87.8 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.19 0 CA-C-O 118.373 -1.237 . . . . 0.0 110.284 -171.214 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.96 165.98 25.89 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -161.81 164.77 28.63 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.054 1.342 . . . . 0.0 108.594 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER -103.99 -17.68 14.88 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.574 HH11 ' CD2' ' B' ' 18' ' ' HIS . 71.1 mtt85 -141.67 166.77 23.83 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.693 1.997 . . . . 0.0 107.484 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 173.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.1 t -148.57 177.08 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.947 3.299 . . . . 0.0 104.251 169.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . 0.358 0.0 OUTLIER 46.67 166.19 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 130.409 3.483 . . . . 0.0 117.307 171.265 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -166.11 -174.79 3.08 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.055 -1.653 . . . . 0.0 107.469 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -149.0 152.95 37.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.573 1.149 . . . . 0.0 109.679 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 24.67 6.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.948 1.699 . . . . 0.0 113.536 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.97 11.8 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.495 0.318 . . . . 0.0 111.716 -170.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.588 1.555 . . . . 0.0 108.417 -168.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -67.82 -28.2 67.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.999 -0.706 . . . . 0.0 112.249 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.2 mtm -138.56 165.85 25.82 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.372 1.469 . . . . 0.0 109.434 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.7 t30 -62.73 151.83 37.4 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.012 0.925 . . . . 0.0 111.035 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.1 m -60.87 112.72 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.775 0.83 . . . . 0.0 110.539 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 62.25 -67.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.929 2.492 . . . . 0.0 113.906 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1495 ' ' TRP . . . . . 0.403 ' CD2' ' HE2' ' B' ' 20' ' ' MLY . 44.2 t-105 -71.54 111.01 6.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -58.19 -18.28 24.84 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.228 1.811 . . . . 0.0 115.288 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -75.9 46.38 0.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.66 1.184 . . . . 0.0 111.313 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 37.78 54.57 1.55 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.967 2.907 . . . . 0.0 113.842 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -111.4 -160.74 16.54 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.752 0.692 . . . . 0.0 111.568 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -82.75 -177.85 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.946 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1521 ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.02 -39.14 83.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.429 -1.206 . . . . 0.0 110.252 -171.395 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 120.898 0.166 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -52.47 47.3 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.419 0.688 . . . . 0.0 112.436 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.86 159.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.588 2.355 . . . . 0.0 114.999 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER -117.83 -0.87 11.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -144.66 168.04 21.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 129.456 3.102 . . . . 0.0 103.685 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.403 ' HE2' ' CD2' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 167.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -153.89 167.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 102.191 -3.263 . . . . 0.0 102.191 168.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.448 ' H ' ' HB2' ' A' 1521 ' ' ASP 0.343 0.0 OUTLIER 51.88 161.6 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 130.883 3.673 . . . . 0.0 116.712 169.832 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -156.15 167.07 31.57 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.44 -1.413 . . . . 0.0 110.051 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.44 174.03 12.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.258 1.823 . . . . 0.0 106.947 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -2.14 3.44 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -169.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.01 12.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 124.38 1.072 . . . . 0.0 110.57 -170.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.354 1.462 . . . . 0.0 108.867 -168.6 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.016 -0.433 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -148.49 144.39 27.33 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.223 1.409 . . . . 0.0 107.844 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 34.6 ttp -75.95 -74.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -169.31 157.69 7.67 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.197 2.599 . . . . 0.0 105.139 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.5 m -65.58 -43.33 90.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -152.05 -52.25 0.12 Allowed 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -170.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.9 t-105 -72.85 114.86 11.46 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 8.0 m -55.38 -22.24 18.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -168.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -77.37 54.31 1.12 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 39.65 47.85 1.77 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.328 2.651 . . . . 0.0 113.748 -171.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.2 34.23 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-O 122.111 0.839 . . . . 0.0 113.673 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -76.24 -179.93 5.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.373 1.069 . . . . 0.0 109.905 169.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.53 -40.95 96.56 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.296 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -170.394 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 159.63 26.11 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.351 0.66 . . . . 0.0 110.809 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -158.68 162.23 37.19 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.817 1.247 . . . . 0.0 108.41 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.559 ' CD2' HH11 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -94.02 -178.07 4.52 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.559 HH11 ' CD2' ' B' ' 18' ' ' HIS . 58.2 mtt85 50.43 -131.77 1.92 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 168.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.493 ' H ' HD11 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -166.94 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 126.028 1.731 . . . . 0.0 110.829 -170.472 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.493 HD11 ' H ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -157.18 158.04 35.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.941 -1.1 . . . . 0.0 108.978 -168.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -145.96 38.86 1.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -144.52 -43.21 0.25 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.033 0.933 . . . . 0.0 112.616 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -85.13 30.23 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.639 0.733 . . . . 0.0 112.602 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 8.55 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.296 -168.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.33 1.452 . . . . 0.0 108.524 -169.082 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -149.2 -177.29 5.74 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.916 1.286 . . . . 0.0 108.746 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.5 mmm -60.32 139.2 57.76 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.767 0.827 . . . . 0.0 109.657 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.3 t30 -68.86 155.32 40.44 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.565 0.346 . . . . 0.0 110.086 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 107.46 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 66.16 -68.14 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.063 2.145 . . . . 0.0 113.844 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -72.38 112.4 8.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 13.8 m -56.85 -18.56 13.46 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -169.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.8 m -77.07 48.9 0.63 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.929 1.241 . . . . 0.0 111.067 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 38.32 50.9 1.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 128.413 2.685 . . . . 0.0 113.816 -171.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -107.64 -162.69 21.45 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 123.541 0.591 . . . . 0.0 112.131 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -82.65 -173.13 4.45 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.49 1.116 . . . . 0.0 110.76 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 4.7 mt -63.26 -38.93 93.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.474 -1.181 . . . . 0.0 110.253 -171.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.948 -0.362 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.06 34.94 3.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.514 1.125 . . . . 0.0 111.471 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -78.73 161.43 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.736 -1.228 . . . . 0.0 110.229 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.88 -28.03 9.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.55 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.7 mtt85 -138.21 58.0 1.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.642 1.577 . . . . 0.0 109.09 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 130.976 3.71 . . . . 0.0 119.645 169.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.42 163.8 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.434 0.693 . . . . 0.0 110.673 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . 0.307 0.0 OUTLIER 49.15 -172.36 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.109 2.163 . . . . 0.0 114.085 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -145.67 158.54 43.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.144 -1.597 . . . . 0.0 110.204 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.58 -17.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.48 40.97 1.06 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.735 1.255 . . . . 0.0 110.762 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.59 5.48 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 113.91 -1.495 . . . . 0.0 113.211 -167.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.123 1.369 . . . . 0.0 108.615 -169.265 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -149.14 167.48 25.81 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.471 1.108 . . . . 0.0 109.119 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.3 mmt -61.82 154.17 26.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.325 1.05 . . . . 0.0 110.604 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.6 t30 -144.48 67.1 1.26 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.419 1.087 . . . . 0.0 109.387 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 66.1 m 70.46 -57.61 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.631 2.372 . . . . 0.0 114.561 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.33 -51.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.379 1.472 . . . . 0.0 107.268 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 57.8 t-105 -74.58 112.12 10.45 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.6 m -57.21 -16.99 9.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.193 1.797 . . . . 0.0 115.719 -169.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.1 m -74.24 45.11 0.21 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.227 1.411 . . . . 0.0 111.506 173.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 38.11 50.56 1.39 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.354 2.662 . . . . 0.0 113.357 -170.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -106.77 -163.25 22.32 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 123.756 0.693 . . . . 0.0 112.441 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -80.83 -173.87 4.46 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.159 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.2 mt -64.45 -44.43 91.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 -176.658 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.66 48.98 0.84 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.456 1.503 . . . . 0.0 112.913 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -66.32 158.97 27.74 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.275 -1.516 . . . . 0.0 110.373 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER -103.88 -17.81 14.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -142.93 168.86 18.71 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.781 2.032 . . . . 0.0 107.066 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 168.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 18.2 t -133.45 -117.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 169.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.438 ' CD1' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -41.82 159.95 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.736 1.614 . . . . 0.0 113.613 169.232 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -89.82 -43.52 10.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.667 -0.645 . . . . 0.0 110.523 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -150.37 162.69 40.06 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.781 0.719 . . . . 0.0 109.738 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -83.14 56.28 3.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.486 1.114 . . . . 0.0 113.052 -169.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.68 6.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.152 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.999 1.72 . . . . 0.0 110.224 -168.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -66.19 153.57 42.1 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.55 0.675 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.3 mtt -147.91 166.95 26.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.202 1.401 . . . . 0.0 109.797 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -130.4 152.55 49.68 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.268 1.827 . . . . 0.0 107.261 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.6 m -58.33 97.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.925 1.29 . . . . 0.0 111.371 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 62.73 -63.03 0.11 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 128.501 2.72 . . . . 0.0 113.757 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.2 t-105 -68.74 105.24 2.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -20.31 62.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 127.095 2.158 . . . . 0.0 115.203 -169.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -20.48 61.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.051 0.841 . . . . 0.0 112.143 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.9 t30 116.86 66.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.73 3.612 . . . . 0.0 110.428 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -131.11 -155.25 8.12 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -79.56 -176.59 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.38 1.072 . . . . 0.0 112.294 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1501 ' ' PHE . . . . . 0.408 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1593 ' ' GLY . . . . . 0.408 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.9 mt -65.26 -41.49 94.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -172.291 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 CA-C-O 120.942 0.19 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.12 13.73 1.27 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.319 2.247 . . . . 0.0 116.195 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.1 158.06 19.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.299 -1.501 . . . . 0.0 111.294 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER -84.23 -26.91 28.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.574 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.7 mtt85 -139.07 137.88 36.61 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 129.994 3.318 . . . . 0.0 102.234 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.236 1.017 . . . . 0.0 110.27 -171.747 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.75 178.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 130.65 3.58 . . . . 0.0 103.881 169.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . 0.338 0.0 OUTLIER 43.43 -179.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.453 3.101 . . . . 0.0 114.573 179.609 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -154.19 -66.64 0.14 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 119.944 -1.723 . . . . 0.0 110.677 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.62 159.86 35.89 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.27 2.66 2.31 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.59 15.23 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 111.027 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.241 1.816 . . . . 0.0 108.651 -168.208 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 CA-C-O 121.187 0.326 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -150.76 152.03 33.24 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.692 1.197 . . . . 0.0 109.376 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.7 mtp -144.89 135.13 24.12 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 126.001 1.72 . . . . 0.0 106.697 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.9 t30 -68.36 147.11 52.58 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 24.4 m -64.98 102.21 0.59 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 110.473 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 63.86 -61.64 0.17 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 128.198 2.599 . . . . 0.0 114.265 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -82.78 80.12 8.97 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.9 m -56.97 -24.01 50.06 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -63.42 -17.69 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.558 1.143 . . . . 0.0 113.78 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.55 -46.14 0.14 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 119.953 1.251 . . . . 0.0 113.189 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.28 173.09 22.87 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.909 0.777 . . . . 0.0 112.682 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 69.86 164.27 0.26 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.966 2.506 . . . . 0.0 112.973 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' ASP . . . . . 0.515 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1582 ' ' LYS . . . . . 0.455 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1584 ' ' MET . . . . . 0.455 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.08 -47.92 78.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.647 -169.178 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 22.19 2.77 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.663 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -65.74 158.12 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.025 -1.672 . . . . 0.0 110.776 175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER -120.46 2.22 10.72 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -144.31 168.36 20.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.945 2.498 . . . . 0.0 104.815 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.467 ' C ' ' CD ' ' B' ' 20' ' ' MLY . . . . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -44.35 156.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 124.638 1.211 . . . . 0.0 110.332 -174.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' 1521 ' ' ASP 0.327 0.0 OUTLIER 56.85 167.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 129.68 3.192 . . . . 0.0 114.024 176.953 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -156.48 -57.07 0.09 Allowed 'General case' 0 C--N 1.34 0.19 0 O-C-N 120.856 -1.152 . . . . 0.0 110.328 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 38.13 46.03 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.375 1.87 . . . . 0.0 114.031 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.555 1.142 . . . . 0.0 112.085 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.07 6.4 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.389 -168.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.561 1.544 . . . . 0.0 108.87 -168.795 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -68.63 -41.4 79.51 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.617 -0.931 . . . . 0.0 110.447 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -84.49 165.28 18.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.689 0.796 . . . . 0.0 109.606 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.28 162.4 34.42 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.931 2.092 . . . . 0.0 107.692 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.1 m -57.33 117.8 4.47 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.211 1.005 . . . . 0.0 110.705 -173.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.87 -68.42 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 128.199 2.6 . . . . 0.0 114.615 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -84.63 77.9 9.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.7 m -57.61 -21.34 38.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.047 0.939 . . . . 0.0 113.397 -170.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -60.49 -21.77 62.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.574 1.15 . . . . 0.0 113.289 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 53.5 t30 -150.91 -46.23 0.12 Allowed 'General case' 0 C--N 1.347 0.476 0 CA-C-N 120.024 1.284 . . . . 0.0 113.485 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.68 174.88 25.18 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 119.182 0.901 . . . . 0.0 112.871 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 69.42 164.52 0.25 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.434 2.694 . . . . 0.0 111.977 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1501 ' ' PHE . . . . . 0.413 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1523 ' ' TYR . . . . . 0.508 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1593 ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 2.5 mt -62.94 -41.83 99.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -173.939 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.17 46.7 0.62 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.954 1.701 . . . . 0.0 113.245 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -71.47 157.21 38.43 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.068 -1.645 . . . . 0.0 110.603 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER -99.83 -12.28 20.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.59 HH11 ' CD2' ' B' ' 18' ' ' HIS . 72.4 mtt85 -141.83 172.85 12.12 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 128.646 2.778 . . . . 0.0 105.436 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.508 ' HE3' ' CG ' ' A' 1523 ' ' TYR . . . . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 169.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -147.78 -116.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.472 ' H ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -41.87 166.66 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 129.296 3.038 . . . . 0.0 115.328 173.051 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -153.78 161.68 41.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 62.96 -52.34 0.18 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.846 2.858 . . . . 0.0 117.313 169.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.54 33.77 0.9 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.41 1.084 . . . . 0.0 111.196 -175.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.06 10.18 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.109 -168.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.29 1.436 . . . . 0.0 108.577 -169.358 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . 0.517 ' CG ' ' H ' ' A' ' -1' ' ' MET . 8.7 t60 59.83 177.81 0.09 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.333 1.853 . . . . 0.0 112.453 -172.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' MET . . . . . 0.517 ' H ' ' CG ' ' A' ' -2' ' ' HIS . 99.8 mmm -64.9 164.89 11.67 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.883 1.273 . . . . 0.0 110.705 174.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 53.3 t30 -140.44 158.98 43.19 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.424 1.49 . . . . 0.0 108.322 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -72.0 97.58 1.91 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.269 0.628 . . . . 0.0 109.758 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 67.09 -67.36 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.027 2.131 . . . . 0.0 113.824 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -71.83 111.43 7.09 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -56.79 -21.51 29.15 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.425 1.89 . . . . 0.0 115.297 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.9 m -76.23 48.11 0.5 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.784 1.234 . . . . 0.0 111.114 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 36.76 55.21 1.17 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 128.895 2.878 . . . . 0.0 114.042 -173.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -112.76 -161.25 15.05 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1500 ' ' TYR . . . . . 0.459 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 -85.89 -169.31 2.58 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.481 0.713 . . . . 0.0 110.897 -173.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1589 ' ' SER . . . . . 0.459 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.74 -41.85 98.2 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 -178.185 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.69 164.49 16.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.758 0.823 . . . . 0.0 111.193 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -161.69 165.36 28.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.739 1.616 . . . . 0.0 107.96 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 -105.75 -12.12 16.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 70.8 mmt-85 -145.21 166.67 24.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.984 2.514 . . . . 0.0 104.914 -176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 117.586 2.439 . . . . 0.0 117.586 -170.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -44.62 160.37 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 O-C-N 124.671 1.232 . . . . 0.0 112.525 -173.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . 0.282 0.0 OUTLIER 51.14 -175.16 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.315 2.246 . . . . 0.0 113.055 -177.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -156.18 149.35 24.38 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 120.968 -1.083 . . . . 0.0 109.09 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -146.43 166.34 26.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.188 1.395 . . . . 0.0 108.138 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.92 -9.94 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.52 -2.23 6.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.255 1.388 0 C-N-CA 126.642 1.977 . . . . 0.0 109.464 -169.078 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.506 0.503 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -150.82 167.97 25.86 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.901 1.28 . . . . 0.0 109.394 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.43 166.78 7.81 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.452 1.101 . . . . 0.0 112.483 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -143.44 166.4 24.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.248 2.219 . . . . 0.0 106.606 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 46.3 m -57.51 -49.33 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -152.29 -53.32 0.12 Allowed 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.607 0.567 . . . . 0.0 109.789 -170.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -92.12 116.03 28.59 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.4 m -65.95 -37.41 85.95 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -74.56 -21.38 59.54 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -168.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.37 -3.27 1.94 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.301 0.955 . . . . 0.0 112.575 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 77.14 -178.77 51.03 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 118.519 0.6 . . . . 0.0 111.771 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 75.93 162.54 0.24 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.488 2.715 . . . . 0.0 110.5 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1523 ' ' TYR . . . . . 0.415 ' CD1' ' HE2' ' B' ' 20' ' ' MLY . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 6.3 mt -64.2 -43.12 96.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -172.018 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.41 54.49 1.15 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.559 1.544 . . . . 0.0 112.344 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -75.76 162.77 27.91 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.126 -1.609 . . . . 0.0 109.55 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -104.02 -13.44 16.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.54 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.5 mtt85 -142.47 167.93 20.93 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.854 2.062 . . . . 0.0 107.216 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.415 ' HE2' ' CD1' ' A' 1523 ' ' TYR . . . . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.7 t -145.4 169.77 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 102.967 -2.975 . . . . 0.0 102.967 168.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER 47.57 -172.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.472 2.709 . . . . 0.0 115.277 172.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -148.23 160.53 42.86 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.78 -1.2 . . . . 0.0 108.223 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -147.1 165.39 30.08 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 0.0 108.273 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -62.21 -18.79 62.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -168.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.43 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -85.15 3.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -169.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.38 1.872 . . . . 0.0 109.343 -168.409 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -70.77 -35.53 72.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.842 -0.799 . . . . 0.0 111.542 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -73.69 158.83 33.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.804 0.841 . . . . 0.0 110.477 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.99 35.99 2.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.851 1.261 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.3 m 66.16 -66.35 0.17 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 127.729 2.412 . . . . 0.0 114.406 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -143.47 -55.12 0.39 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 123.951 0.9 . . . . 0.0 108.803 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1495 ' ' TRP . . . . . 0.434 ' CE2' ' HE2' ' B' ' 20' ' ' MLY . 36.5 t-105 -85.15 89.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.5 m -55.32 -30.44 60.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.171 0.989 . . . . 0.0 113.233 -170.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -68.06 -12.36 60.69 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -147.19 -50.31 0.19 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.562 1.073 . . . . 0.0 111.536 170.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.79 -179.76 27.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -172.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 71.32 163.22 0.26 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.913 2.485 . . . . 0.0 111.876 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.63 -49.99 66.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.906 -1.496 . . . . 0.0 110.626 -168.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.11 -175.15 4.95 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.551 1.14 . . . . 0.0 108.054 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -72.18 160.47 32.37 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.95 -1.094 . . . . 0.0 110.705 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -100.91 -23.42 14.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.52 HH11 ' CD2' ' B' ' 18' ' ' HIS . 82.2 mtt85 -142.72 142.65 32.01 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 130.122 3.369 . . . . 0.0 103.404 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.434 ' HE2' ' CE2' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-N 119.204 0.911 . . . . 0.0 110.837 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -152.77 10.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.153 0.981 . . . . 0.0 110.631 -176.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.96 165.76 31.42 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -169.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -148.99 -2.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 148.82 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.943 0.497 . . . . 0.0 110.066 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -149.37 23.84 0.91 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.665 0.786 . . . . 0.0 112.002 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 -2.35 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.487 -169.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.95 2.1 . . . . 0.0 109.166 -168.111 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -151.4 162.16 41.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.889 1.276 . . . . 0.0 108.57 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -150.96 146.31 26.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.195 1.398 . . . . 0.0 108.201 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.3 t30 -136.68 145.0 44.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.076 1.35 . . . . 0.0 107.725 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.7 m -61.66 111.88 2.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.523 0.329 . . . . 0.0 110.779 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 63.21 -67.87 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.827 2.451 . . . . 0.0 113.245 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -89.5 89.74 7.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.5 m -56.6 -28.56 60.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.329 1.051 . . . . 0.0 112.567 -171.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -69.38 -9.21 52.45 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -143.75 -47.35 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.3 1.409 . . . . 0.0 113.836 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 158.11 -42.87 0.5 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 118.142 2.017 . . . . 0.0 118.142 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -74.28 168.79 18.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.316 1.558 . . . . 0.0 112.361 -169.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.16 -40.39 96.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -172.236 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 120.022 -0.321 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.02 34.64 3.58 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.443 1.097 . . . . 0.0 111.458 -169.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -69.31 157.08 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 120.276 -1.515 . . . . 0.0 111.174 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -96.28 -24.19 16.32 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.577 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -144.8 142.51 30.03 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 129.545 3.138 . . . . 0.0 102.831 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.358 0 CA-C-N 119.012 0.824 . . . . 0.0 110.699 -171.704 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.99 7.48 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 121.757 0.789 . . . . 0.0 111.64 -179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.91 170.24 19.77 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.031 -1.043 . . . . 0.0 108.528 -169.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.96 -26.85 2.59 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.681 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . 0.259 26.5 t0 62.62 164.78 0.11 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.154 1.782 . . . . 0.0 112.805 -172.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.24 -7.68 19.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 117.576 2.436 . . . . 0.0 117.576 -168.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.25 0.08 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.05 1.74 . . . . 0.0 108.86 -168.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.72 -28.72 67.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 117.546 0.673 . . . . 0.0 111.877 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.0 mtm -138.99 159.35 42.36 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 109.055 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -74.35 156.22 37.33 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.471 0.709 . . . . 0.0 111.253 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.9 m -47.1 110.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.506 1.522 . . . . 0.0 110.74 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 64.63 -59.07 0.23 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 127.057 2.143 . . . . 0.0 112.845 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.4 t-105 -83.55 90.86 7.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.2 m -57.24 -28.37 62.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.3 m -69.77 -11.33 60.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -146.19 -50.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.605 1.093 . . . . 0.0 111.209 170.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.28 178.32 24.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -172.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 72.63 160.93 0.24 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.183 2.593 . . . . 0.0 111.856 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1552 ' ' TYR . . . . . 0.462 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.79 -48.73 73.38 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.611 -169.307 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.29 13.69 2.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.659 1.983 . . . . 0.0 115.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.462 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt -86.09 158.75 19.73 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 120.086 -1.634 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -28.78 3.04 Favored 'General case' 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -147.99 171.72 15.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.418 2.287 . . . . 0.0 106.593 -168.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 120.514 1.506 . . . . 0.0 107.063 168.769 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 3.2 t -147.37 -131.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 172.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.405 ' H ' HD11 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -25.27 154.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.731 2.812 . . . . 0.0 116.951 169.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -154.22 168.03 27.93 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.919 -1.113 . . . . 0.0 109.269 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -146.01 171.91 14.17 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.045 1.738 . . . . 0.0 107.164 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.98 -23.2 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -169.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -93.34 13.39 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 123.138 0.575 . . . . 0.0 112.031 -169.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.635 1.574 . . . . 0.0 108.084 -169.049 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -142.6 164.31 30.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.81 1.244 . . . . 0.0 109.412 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -140.76 176.78 8.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.406 1.482 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -131.3 152.6 50.4 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.24 1.416 . . . . 0.0 108.903 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -65.83 110.95 3.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.276 0.631 . . . . 0.0 110.357 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 62.35 -65.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.816 2.446 . . . . 0.0 114.069 173.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1495 ' ' TRP . . . . . 0.478 ' CD2' ' HE2' ' B' ' 20' ' ' MLY . 48.0 t-105 -73.2 112.34 9.16 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -28.56 47.54 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.5 m -76.35 67.82 2.63 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 1.5 p-10 45.87 36.38 2.85 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.254 2.222 . . . . 0.0 113.503 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -99.36 -179.85 31.02 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 122.626 1.126 . . . . 0.0 113.858 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -81.88 -173.21 4.34 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 113.745 -1.228 . . . . 0.0 110.796 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.84 -45.44 78.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.325 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -178.239 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.92 44.08 0.37 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.572 1.549 . . . . 0.0 113.852 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.1 157.75 35.47 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 120.116 -1.615 . . . . 0.0 111.635 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER -92.75 -24.8 18.45 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.522 HH11 ' CD2' ' B' ' 18' ' ' HIS . 78.9 mtt85 -127.43 165.31 20.05 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.359 3.063 . . . . 0.0 104.501 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.478 ' HE2' ' CD2' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.814 0.816 . . . . 0.0 109.317 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.517 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -174.27 13.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 129.638 3.175 . . . . 0.0 108.375 -171.312 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.517 HD13 ' H ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -158.23 159.82 36.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -168.098 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -151.59 154.57 36.71 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.351 0.523 . . . . 0.0 110.145 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -146.48 173.1 12.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.089 2.155 . . . . 0.0 106.332 171.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -55.32 -22.22 18.11 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -168.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -90.85 7.11 4.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 122.892 0.477 . . . . 0.0 112.248 -170.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.291 1.436 . . . . 0.0 108.413 -168.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -69.22 -26.79 64.98 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.602 -0.94 . . . . 0.0 112.032 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 62.5 mtt -134.0 166.0 23.73 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.891 1.276 . . . . 0.0 109.674 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -149.45 154.97 39.66 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.839 1.656 . . . . 0.0 107.895 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.6 m -59.67 98.93 0.05 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.775 1.23 . . . . 0.0 110.827 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 64.43 -63.49 0.16 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 128.284 2.634 . . . . 0.0 113.472 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -85.11 96.93 9.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.3 m -58.62 -31.55 68.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -73.17 -7.9 53.44 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -147.21 -42.62 0.18 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.548 1.067 . . . . 0.0 111.831 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 140.19 177.9 16.39 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 74.84 162.28 0.25 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.201 2.601 . . . . 0.0 111.772 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.2 -46.4 89.07 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 110.772 -169.146 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.2 165.68 32.16 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.501 1.52 . . . . 0.0 108.804 176.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -170.26 168.15 8.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.831 2.053 . . . . 0.0 107.199 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.28 -37.2 64.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.456 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 26.2 mtt-85 -149.15 159.91 43.83 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.985 2.514 . . . . 0.0 106.305 -167.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 119.001 0.819 . . . . 0.0 109.799 175.129 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t -154.67 5.95 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.03 0.932 . . . . 0.0 112.354 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -158.38 166.71 31.61 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -172.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -136.54 174.92 10.09 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.87 21.75 14.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.127 1.371 . . . . 0.0 111.986 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.68 35.21 0.83 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.017 1.327 . . . . 0.0 111.723 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.49 5.16 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.343 -1.299 . . . . 0.0 113.161 -168.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.206 1.402 . . . . 0.0 108.371 -169.281 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -150.76 158.21 43.87 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.223 1.409 . . . . 0.0 108.694 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 85.4 mtp -145.12 148.73 33.94 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.826 1.25 . . . . 0.0 108.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.35 147.75 52.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.8 m -61.59 109.95 1.34 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.131 0.572 . . . . 0.0 110.473 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 66.61 -63.62 0.25 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.288 2.235 . . . . 0.0 113.309 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1495 ' ' TRP . . . . . 0.434 ' CE2' ' HD3' ' B' ' 20' ' ' MLY . 33.8 t-105 -85.66 85.88 7.39 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 12.8 m -55.51 -27.92 51.57 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.2 m -66.64 -14.52 62.55 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -145.38 -51.99 0.26 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 153.44 176.05 25.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 70.75 162.14 0.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 128.266 2.627 . . . . 0.0 111.856 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.75 -40.06 96.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -170.776 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.42 156.77 31.28 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.556 0.742 . . . . 0.0 110.911 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -161.88 163.78 29.02 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.846 1.258 . . . . 0.0 108.7 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -89.64 -22.74 22.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.493 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.5 mtt85 -131.84 172.49 12.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.789 2.035 . . . . 0.0 106.729 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.434 ' HD3' ' CE2' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 121.807 0.813 . . . . 0.0 109.505 173.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . 0.462 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -170.18 12.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 128.744 2.817 . . . . 0.0 109.75 -173.321 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.462 HD13 ' H ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -160.52 154.83 23.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.904 -1.122 . . . . 0.0 110.502 -168.031 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -131.67 55.84 1.84 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.48 31.55 4.78 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.334 1.054 . . . . 0.0 110.032 -169.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -82.71 29.5 0.45 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.008 1.323 . . . . 0.0 112.768 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.58 10.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.393 -168.493 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.926 1.69 . . . . 0.0 108.51 -168.565 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -75.1 -18.16 60.31 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.89 -0.77 . . . . 0.0 112.832 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -129.51 161.61 30.06 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.484 1.113 . . . . 0.0 110.098 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.74 162.52 38.36 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 126.496 1.918 . . . . 0.0 107.561 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.8 m -43.17 110.12 0.18 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.155 1.382 . . . . 0.0 110.492 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 66.92 -61.0 0.34 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.767 2.027 . . . . 0.0 112.324 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 47.1 t-105 -74.23 111.78 9.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.8 m -56.51 -18.46 11.62 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.861 2.065 . . . . 0.0 115.73 -169.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.7 m -75.77 47.49 0.42 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.974 1.261 . . . . 0.0 111.082 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.1 t30 37.7 53.33 1.46 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.741 2.816 . . . . 0.0 113.73 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -108.12 -162.95 21.06 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 123.711 0.672 . . . . 0.0 112.056 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -79.89 -170.64 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.819 1.248 . . . . 0.0 110.567 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -65.1 -49.35 70.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.174 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -168.651 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.99 21.28 2.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.215 1.006 . . . . 0.0 112.164 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -68.44 158.53 33.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.306 -1.496 . . . . 0.0 110.683 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.566 ' CD2' HH11 ' B' ' 19' ' ' ARG . 0.2 OUTLIER -113.89 -26.53 8.12 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.566 HH11 ' CD2' ' B' ' 18' ' ' HIS . 77.9 mtt85 -135.96 48.9 2.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.646 1.179 . . . . 0.0 109.939 -171.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . 0.303 . . . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 130.673 3.589 . . . . 0.0 116.43 175.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 2.2 t 33.53 -119.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 126.653 1.981 . . . . 0.0 109.328 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.49 ' CD1' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -52.21 165.11 0.24 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 128.371 2.668 . . . . 0.0 115.356 -179.742 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -100.01 142.16 31.86 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 168.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -129.85 -9.43 4.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.996 0.918 . . . . 0.0 112.48 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -90.18 76.39 6.88 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.89 4.1 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.577 -169.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.987 1.315 . . . . 0.0 108.761 -169.261 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -69.26 168.45 14.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 117.469 0.634 . . . . 0.0 110.724 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.2 ttt -56.78 148.72 19.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 109.326 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -141.0 153.83 45.74 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 123.835 0.854 . . . . 0.0 109.257 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 113.53 1.78 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.556 1.142 . . . . 0.0 110.153 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 63.83 -62.4 0.16 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.461 2.304 . . . . 0.0 113.129 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -73.6 110.47 7.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 15.4 m -57.37 -15.89 7.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.696 1.998 . . . . 0.0 116.153 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.6 m -75.45 49.25 0.47 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 110.796 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 37.21 53.95 1.27 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.781 2.832 . . . . 0.0 113.857 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.75 11.6 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 123.621 0.629 . . . . 0.0 112.824 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.7 m-30 -84.76 -172.65 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.96 1.304 . . . . 0.0 111.823 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1501 ' ' PHE . . . . . 0.405 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1521 ' ' ASP . . . . . 0.483 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1590 ' ' LEU . . . . . 0.405 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.6 mt -65.54 -44.03 88.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -172.099 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.915 0 CA-C-O 120.973 0.207 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.32 26.86 3.27 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.779 2.032 . . . . 0.0 114.978 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -104.05 159.22 15.86 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.795 -1.191 . . . . 0.0 109.787 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER -81.76 -27.79 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.528 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -138.95 144.16 38.88 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 129.072 2.949 . . . . 0.0 103.204 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 123.561 1.648 . . . . 0.0 111.08 -173.737 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -151.11 170.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 129.755 3.222 . . . . 0.0 102.324 169.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.483 ' H ' ' HB2' ' A' 1521 ' ' ASP 0.329 0.0 OUTLIER 47.82 162.6 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 130.075 3.35 . . . . 0.0 116.848 174.375 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -158.53 153.01 24.35 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 120.341 -1.474 . . . . 0.0 107.853 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -66.03 -29.05 69.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.066 0.936 . . . . 0.0 109.997 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 t30 74.27 -15.09 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 129.877 3.271 . . . . 0.0 119.498 168.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.59 9.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.165 0.507 . . . . 0.0 111.373 179.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.413 2.285 . . . . 0.0 107.944 -168.197 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -65.77 -33.41 75.8 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.945 -0.738 . . . . 0.0 111.907 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.3 tpt -147.13 160.46 42.4 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.665 1.586 . . . . 0.0 107.444 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.5 t30 -143.07 148.5 36.78 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.639 0.776 . . . . 0.0 109.18 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 105.06 1.05 Allowed 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.052 0.941 . . . . 0.0 110.096 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 63.59 -62.95 0.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.792 2.437 . . . . 0.0 114.003 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 35.2 t-105 -93.92 103.81 15.89 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 7.1 m -55.33 -37.52 67.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.846 0.858 . . . . 0.0 112.817 -170.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.9 m -75.19 -15.48 60.56 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -142.75 12.04 1.86 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.789 1.177 . . . . 0.0 114.034 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 88.93 -39.67 3.11 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 118.697 2.239 . . . . 0.0 118.697 167.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -76.27 169.5 18.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 119.702 1.751 . . . . 0.0 112.01 -169.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.78 -40.57 97.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -172.359 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.911 0 CA-C-O 121.126 0.292 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.03 14.64 1.5 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.536 2.334 . . . . 0.0 116.324 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -74.62 155.83 37.4 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.01 -1.681 . . . . 0.0 110.241 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.51 -13.39 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.569 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.1 mtt85 -143.51 167.62 21.79 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.542 1.937 . . . . 0.0 107.107 -175.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 126.104 1.761 . . . . 0.0 114.548 -171.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 2.3 t -60.01 -7.98 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.992 1.717 . . . . 0.0 115.614 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -154.48 169.39 23.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -177.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -147.74 173.48 12.74 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.298 0.499 . . . . 0.0 110.3 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.56 32.74 0.09 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.208 1.803 . . . . 0.0 113.323 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -87.53 34.42 0.7 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 111.346 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.05 2.19 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.253 -168.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.47 1.508 . . . . 0.0 107.946 -169.717 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.61 -28.02 67.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.543 0.671 . . . . 0.0 112.294 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -143.92 161.04 39.72 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.523 . . . . 0.0 108.432 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.68 147.8 52.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.379 0.672 . . . . 0.0 110.877 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 40.5 m -47.02 109.76 0.23 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.912 1.685 . . . . 0.0 111.486 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.19 -62.73 0.2 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 127.601 2.36 . . . . 0.0 112.977 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -73.76 110.2 7.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 17.0 m -58.11 -15.39 9.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.35 1.86 . . . . 0.0 115.823 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 18.3 m -75.48 48.28 0.43 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.966 1.257 . . . . 0.0 110.983 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.0 t30 37.82 52.95 1.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.726 2.81 . . . . 0.0 113.792 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -109.0 -163.12 20.28 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-O 121.742 0.635 . . . . 0.0 112.573 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -78.44 -177.71 5.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.109 1.364 . . . . 0.0 111.527 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' TYR . . . . . 0.42 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1534 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1602 ' ' LEU . . . . . . . . . . . . . 1.9 mt -65.35 -39.6 92.54 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.204 -171.35 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.39 162.72 35.75 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.212 1.405 . . . . 0.0 109.429 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -160.98 164.76 30.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.491 1.116 . . . . 0.0 108.145 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -93.01 -21.22 19.88 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.587 HH11 ' CD2' ' B' ' 18' ' ' HIS . 76.6 mtt85 -135.0 160.24 38.95 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 128.906 2.882 . . . . 0.0 104.266 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' MLY . . . . . 0.42 ' HE3' ' CG ' ' A' 1523 ' ' TYR . . . . . . . . 0 C--N 1.33 -0.254 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 t -141.79 -109.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 169.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.492 ' CD1' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -41.77 158.71 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.437 2.695 . . . . 0.0 115.225 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.46 62.0 5.15 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -127.05 -14.69 5.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.706 1.202 . . . . 0.0 111.888 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 34.14 0.86 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.367 1.079 . . . . 0.0 111.197 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.09 5.17 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.1 -168.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.683 1.593 . . . . 0.0 107.728 -169.825 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.0 t-105 . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' 1540 ' ' LEU . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.417 ' CZ ' HG12 ' A' 1538 ' ' ILE . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1582 ' ' LYS . . . . . 0.495 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1584 ' ' MET . . . . . 0.495 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 3.5 mt . . . . . 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.395 0.617 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.416 HG23 ' H ' ' A' 1518 ' ' LEU . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.416 ' H ' HG23 ' A' 1507 ' ' THR . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' ILE . . . . . 0.4 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' 1540 ' ' LEU . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1570 ' ' TYR . . . . . 0.4 ' CZ ' HG12 ' A' 1538 ' ' ILE . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.9 t-105 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.443 ' CD1' ' HA ' ' A' 1589 ' ' SER . 14.8 m-30 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.493 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt . . . . . 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.371 0.605 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.474 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.474 ' H ' HG23 ' A' 1507 ' ' THR . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.539 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' 1540 ' ' LEU . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.539 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 57.8 t-105 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.331 0.586 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.502 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.453 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' B' ' 17' ' ' ARG . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.502 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' 1551 ' ' GLU . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.2 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.412 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.564 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.477 HD12 ' H ' ' A' 1540 ' ' LEU . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1593 ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.564 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 119.693 -0.194 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.4 HG23 ' H ' ' A' 1518 ' ' LEU . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.4 ' H ' HG23 ' A' 1507 ' ' THR . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' 1540 ' ' LEU . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1582 ' ' LYS . . . . . 0.451 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1584 ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.1 mt . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.939 0.399 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.419 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.57 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' 1540 ' ' LEU . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1593 ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.57 HD22 HD23 ' A' 1534 ' ' LEU . 2.5 mt . . . . . 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.158 0.504 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1534 ' ' LEU . 1.5 mt . . . . . 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 . . . . . 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.5 t-105 . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.101 0.477 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.649 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.649 HD22 HD23 ' A' 1534 ' ' LEU . 6.3 mt . . . . . 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 36.5 t-105 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.4 0.619 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.432 HG23 ' H ' ' A' 1518 ' ' LEU . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.432 ' H ' HG23 ' A' 1507 ' ' THR . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' 1530 ' ' LYS 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.474 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.474 HD22 HD23 ' A' 1534 ' ' LEU . 1.4 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.572 -0.252 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.493 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.493 HD22 HD23 ' A' 1534 ' ' LEU . 3.0 mt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.716 0.769 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.538 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1552 ' ' TYR . . . . . 0.464 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.538 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.617 ' HB2' HD22 ' A' 1517 ' ' LEU . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.884 0.849 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' 1493 ' ' ALA . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.446 ' H ' HG23 ' A' 1507 ' ' THR . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.463 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.505 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.463 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.225 -0.198 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 121.207 0.527 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.438 HG23 ' H ' ' A' 1518 ' ' LEU . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.438 ' H ' HG23 ' A' 1507 ' ' THR . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.475 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.483 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.475 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.436 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.456 0.646 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.403 HG23 ' H ' ' A' 1518 ' ' LEU . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' 1507 ' ' THR . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.572 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' 1540 ' ' LEU . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.572 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.467 0.375 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.821 0.82 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.434 HG23 ' H ' ' A' 1518 ' ' LEU . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' LEU . . . . . 0.468 HD21 HD13 ' A' 1532 ' ' ILE . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.434 ' H ' HG23 ' A' 1507 ' ' THR . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1493 ' ' ALA . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.427 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1568 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1568 ' ' LEU . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.427 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.1 t-105 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1500 ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' 1589 ' ' SER . 8.7 m-30 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.217 0.532 . . . . 0.0 111.823 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1501 ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.41 HG23 ' H ' ' A' 1518 ' ' LEU . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' 1507 ' ' THR . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.599 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' 1540 ' ' LEU . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 17' ' ' ARG . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1589 ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.599 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.365 0.602 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.5 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' 1540 ' ' LEU . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.5 HD22 HD23 ' A' 1534 ' ' LEU . 5.4 mt . . . . . 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1493 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 43.6 t-105 . . . . . 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.077 0.465 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1507 ' ' THR . . . . . 0.412 HG23 ' H ' ' A' 1518 ' ' LEU . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1518 ' ' LEU . . . . . 0.412 ' H ' HG23 ' A' 1507 ' ' THR . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' LYS . . . . . 0.406 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1532 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1534 ' ' LEU . . . . . 0.55 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1540 ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1602 ' ' LEU . . . . . 0.55 HD22 HD23 ' A' 1534 ' ' LEU . 1.9 mt . . . . . 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -150.24 150.41 31.52 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.883 1.273 . . . . 0.0 108.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -149.66 168.51 23.39 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.927 1.691 . . . . 0.0 108.632 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -133.72 150.21 51.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 125.106 1.362 . . . . 0.0 108.002 170.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 37.1 m -61.4 102.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.436 1.094 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 63.3 -64.22 0.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 127.847 2.459 . . . . 0.0 113.672 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.642 ' CE3' HH12 ' B' ' 20' ' ' MLY . 29.0 t-105 -73.56 111.55 8.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.0 m -56.19 -15.71 4.19 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -76.33 49.66 0.6 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.945 1.248 . . . . 0.0 110.923 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 38.34 49.35 1.32 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.547 2.739 . . . . 0.0 113.782 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -103.33 -164.88 25.54 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 123.83 0.729 . . . . 0.0 112.589 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -81.77 -178.77 7.12 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.089 1.356 . . . . 0.0 111.765 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.45 ' CD2' HG13 ' B' ' 21' ' ' VAL . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.466 ' CB ' HH13 ' B' ' 20' ' ' MLY . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' 1540 ' ' LEU . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.417 ' CZ ' HG12 ' A' 1538 ' ' ILE . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1582 ' ' LYS . . . . . 0.495 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1584 ' ' MET . . . . . 0.495 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 3.5 mt -66.29 -42.85 87.8 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.19 0 CA-C-O 118.373 -1.237 . . . . 0.0 110.284 -171.214 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.96 165.98 25.89 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -161.81 164.77 28.63 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.054 1.342 . . . . 0.0 108.594 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER -103.99 -17.68 14.88 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.578 HH11 ' CD2' ' B' ' 18' ' ' HIS . 71.1 mtt85 -141.67 166.77 23.83 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.693 1.997 . . . . 0.0 107.484 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.642 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.592 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.1 t -148.57 177.08 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.947 3.299 . . . . 0.0 104.251 169.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.358 0.0 OUTLIER 46.67 166.19 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 130.409 3.483 . . . . 0.0 117.307 171.265 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -166.11 -174.79 3.08 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.055 -1.653 . . . . 0.0 107.469 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -149.0 152.95 37.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.573 1.149 . . . . 0.0 109.679 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 24.67 6.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.948 1.699 . . . . 0.0 113.536 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.97 11.8 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.495 0.318 . . . . 0.0 111.716 -170.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.588 1.555 . . . . 0.0 108.417 -168.88 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -67.82 -28.2 67.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.999 -0.706 . . . . 0.0 112.249 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.2 mtm -138.56 165.85 25.82 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.372 1.469 . . . . 0.0 109.434 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.7 t30 -62.73 151.83 37.4 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.012 0.925 . . . . 0.0 111.035 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.1 m -60.87 112.72 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.775 0.83 . . . . 0.0 110.539 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 62.25 -67.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.929 2.492 . . . . 0.0 113.906 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.437 ' CE2' ' HE2' ' B' ' 20' ' ' MLY . 44.2 t-105 -71.54 111.01 6.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -58.19 -18.28 24.84 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.228 1.811 . . . . 0.0 115.288 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -75.9 46.38 0.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.66 1.184 . . . . 0.0 111.313 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 37.78 54.57 1.55 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.967 2.907 . . . . 0.0 113.842 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -111.4 -160.74 16.54 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.752 0.692 . . . . 0.0 111.568 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -82.75 -177.85 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.946 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.416 HG23 ' H ' ' A' 1518 ' ' LEU . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.416 ' H ' HG23 ' A' 1507 ' ' THR . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' ASP . . . . . 0.491 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.419 ' HB2' HH13 ' B' ' 20' ' ' MLY . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' ILE . . . . . 0.4 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.478 HD12 ' H ' ' A' 1540 ' ' LEU . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1570 ' ' TYR . . . . . 0.4 ' CZ ' HG12 ' A' 1538 ' ' ILE . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt -68.02 -39.14 83.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.429 -1.206 . . . . 0.0 110.252 -171.395 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 120.898 0.166 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -52.47 47.3 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.419 0.688 . . . . 0.0 112.436 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.86 159.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.588 2.355 . . . . 0.0 114.999 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER -117.83 -0.87 11.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -144.66 168.04 21.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 129.456 3.102 . . . . 0.0 103.685 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.455 ' C ' ' HD3' ' B' ' 20' ' ' MLY . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 167.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.5 t -153.89 167.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 102.191 -3.263 . . . . 0.0 102.191 168.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.343 0.0 OUTLIER 51.88 161.6 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 130.883 3.673 . . . . 0.0 116.712 169.832 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -156.15 167.07 31.57 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.44 -1.413 . . . . 0.0 110.051 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.44 174.03 12.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.258 1.823 . . . . 0.0 106.947 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -2.14 3.44 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -169.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.01 12.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 124.38 1.072 . . . . 0.0 110.57 -170.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.354 1.462 . . . . 0.0 108.867 -168.6 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.016 -0.433 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -148.49 144.39 27.33 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.223 1.409 . . . . 0.0 107.844 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 34.6 ttp -75.95 -74.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -169.31 157.69 7.67 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.197 2.599 . . . . 0.0 105.139 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.5 m -65.58 -43.33 90.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -152.05 -52.25 0.12 Allowed 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -170.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.482 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.9 t-105 -72.85 114.86 11.46 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 8.0 m -55.38 -22.24 18.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -168.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -77.37 54.31 1.12 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 39.65 47.85 1.77 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.328 2.651 . . . . 0.0 113.748 -171.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.2 34.23 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-O 122.111 0.839 . . . . 0.0 113.673 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.443 ' CD1' ' HA ' ' A' 1589 ' ' SER . 14.8 m-30 -76.24 -179.93 5.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.373 1.069 . . . . 0.0 109.905 169.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.439 ' CG ' HH13 ' B' ' 20' ' ' MLY . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.493 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt -64.53 -40.95 96.56 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.296 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -170.394 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 159.63 26.11 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.351 0.66 . . . . 0.0 110.809 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -158.68 162.23 37.19 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.817 1.247 . . . . 0.0 108.41 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.493 ' NE ' HD12 ' B' ' 22' ' ' LEU . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.562 ' CD2' HH11 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -94.02 -178.07 4.52 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.562 HH11 ' CD2' ' B' ' 18' ' ' HIS . 58.2 mtt85 50.43 -131.77 1.92 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.482 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.48 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -166.94 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 126.028 1.731 . . . . 0.0 110.829 -170.472 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.493 HD12 ' NE ' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -157.18 158.04 35.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.941 -1.1 . . . . 0.0 108.978 -168.003 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -145.96 38.86 1.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -144.52 -43.21 0.25 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.033 0.933 . . . . 0.0 112.616 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -85.13 30.23 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.639 0.733 . . . . 0.0 112.602 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 8.55 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.296 -168.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.33 1.452 . . . . 0.0 108.524 -169.082 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -149.2 -177.29 5.74 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.916 1.286 . . . . 0.0 108.746 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.5 mmm -60.32 139.2 57.76 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.767 0.827 . . . . 0.0 109.657 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.3 t30 -68.86 155.32 40.44 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.565 0.346 . . . . 0.0 110.086 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 107.46 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 66.16 -68.14 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.063 2.145 . . . . 0.0 113.844 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -72.38 112.4 8.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 13.8 m -56.85 -18.56 13.46 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -169.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.8 m -77.07 48.9 0.63 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.929 1.241 . . . . 0.0 111.067 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 38.32 50.9 1.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 128.413 2.685 . . . . 0.0 113.816 -171.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -107.64 -162.69 21.45 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 123.541 0.591 . . . . 0.0 112.131 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -82.65 -173.13 4.45 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.49 1.116 . . . . 0.0 110.76 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.474 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.474 ' H ' HG23 ' A' 1507 ' ' THR . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.539 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.464 HD12 ' H ' ' A' 1540 ' ' LEU . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.577 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.539 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt -63.26 -38.93 93.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.474 -1.181 . . . . 0.0 110.253 -171.524 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.948 -0.362 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.06 34.94 3.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.514 1.125 . . . . 0.0 111.471 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -78.73 161.43 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.736 -1.228 . . . . 0.0 110.229 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.88 -28.03 9.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.7 mtt85 -138.21 58.0 1.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.642 1.577 . . . . 0.0 109.09 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 130.976 3.71 . . . . 0.0 119.645 169.074 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.715 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.9 OUTLIER -48.42 163.8 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.434 0.693 . . . . 0.0 110.673 -178.7 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.715 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.307 0.0 OUTLIER 49.15 -172.36 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.109 2.163 . . . . 0.0 114.085 179.272 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -145.67 158.54 43.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.144 -1.597 . . . . 0.0 110.204 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.58 -17.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.48 40.97 1.06 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.735 1.255 . . . . 0.0 110.762 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.59 5.48 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 113.91 -1.495 . . . . 0.0 113.211 -167.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.123 1.369 . . . . 0.0 108.615 -169.265 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -149.14 167.48 25.81 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.471 1.108 . . . . 0.0 109.119 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.3 mmt -61.82 154.17 26.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.325 1.05 . . . . 0.0 110.604 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.6 t30 -144.48 67.1 1.26 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.419 1.087 . . . . 0.0 109.387 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 66.1 m 70.46 -57.61 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.631 2.372 . . . . 0.0 114.561 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.33 -51.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.379 1.472 . . . . 0.0 107.268 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.48 ' CE3' HH12 ' B' ' 20' ' ' MLY . 57.8 t-105 -74.58 112.12 10.45 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.6 m -57.21 -16.99 9.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.193 1.797 . . . . 0.0 115.719 -169.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.1 m -74.24 45.11 0.21 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.227 1.411 . . . . 0.0 111.506 173.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 38.11 50.56 1.39 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.354 2.662 . . . . 0.0 113.357 -170.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -106.77 -163.25 22.32 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 123.756 0.693 . . . . 0.0 112.441 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -80.83 -173.87 4.46 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.159 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.416 ' HE2' HG22 ' B' ' 21' ' ' VAL . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.502 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.453 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' B' ' 17' ' ' ARG . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.502 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -64.45 -44.43 91.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 -176.658 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.66 48.98 0.84 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.456 1.503 . . . . 0.0 112.913 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -66.32 158.97 27.74 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.275 -1.516 . . . . 0.0 110.373 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' 1551 ' ' GLU . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER -103.88 -17.81 14.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -142.93 168.86 18.71 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.781 2.032 . . . . 0.0 107.066 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.48 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.644 ' HB ' HD13 ' B' ' 22' ' ' LEU . 18.2 t -133.45 -117.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 169.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.644 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -41.82 159.95 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.736 1.614 . . . . 0.0 113.613 169.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -89.82 -43.52 10.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.667 -0.645 . . . . 0.0 110.523 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -150.37 162.69 40.06 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.781 0.719 . . . . 0.0 109.738 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -83.14 56.28 3.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.486 1.114 . . . . 0.0 113.052 -169.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.68 6.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.152 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.999 1.72 . . . . 0.0 110.224 -168.158 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -66.19 153.57 42.1 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.55 0.675 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.3 mtt -147.91 166.95 26.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.202 1.401 . . . . 0.0 109.797 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -130.4 152.55 49.68 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.268 1.827 . . . . 0.0 107.261 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.6 m -58.33 97.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.925 1.29 . . . . 0.0 111.371 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 62.73 -63.03 0.11 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 128.501 2.72 . . . . 0.0 113.757 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.502 ' CE3' HH12 ' B' ' 20' ' ' MLY . 40.2 t-105 -68.74 105.24 2.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -20.31 62.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 127.095 2.158 . . . . 0.0 115.203 -169.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -20.48 61.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.051 0.841 . . . . 0.0 112.143 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.9 t30 116.86 66.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.73 3.612 . . . . 0.0 110.428 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -131.11 -155.25 8.12 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -79.56 -176.59 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.38 1.072 . . . . 0.0 112.294 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.412 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.481 ' CD2' HG13 ' B' ' 21' ' ' VAL . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.564 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.477 HD12 ' H ' ' A' 1540 ' ' LEU . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.481 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1593 ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.564 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -65.26 -41.49 94.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -172.291 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 CA-C-O 120.942 0.19 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.12 13.73 1.27 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.319 2.247 . . . . 0.0 116.195 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.1 158.06 19.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.299 -1.501 . . . . 0.0 111.294 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER -84.23 -26.91 28.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.56 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.7 mtt85 -139.07 137.88 36.61 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 129.994 3.318 . . . . 0.0 102.234 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.502 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.236 1.017 . . . . 0.0 110.27 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.536 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -155.75 178.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 130.65 3.58 . . . . 0.0 103.881 169.163 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.536 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.338 0.0 OUTLIER 43.43 -179.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.453 3.101 . . . . 0.0 114.573 179.609 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -154.19 -66.64 0.14 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 119.944 -1.723 . . . . 0.0 110.677 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.62 159.86 35.89 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.27 2.66 2.31 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.59 15.23 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 111.027 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.241 1.816 . . . . 0.0 108.651 -168.208 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 CA-C-O 121.187 0.326 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -150.76 152.03 33.24 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.692 1.197 . . . . 0.0 109.376 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.7 mtp -144.89 135.13 24.12 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 126.001 1.72 . . . . 0.0 106.697 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.9 t30 -68.36 147.11 52.58 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 24.4 m -64.98 102.21 0.59 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 110.473 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 63.86 -61.64 0.17 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 128.198 2.599 . . . . 0.0 114.265 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -82.78 80.12 8.97 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.9 m -56.97 -24.01 50.06 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -63.42 -17.69 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.558 1.143 . . . . 0.0 113.78 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.55 -46.14 0.14 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 119.953 1.251 . . . . 0.0 113.189 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.28 173.09 22.87 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.909 0.777 . . . . 0.0 112.682 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 69.86 164.27 0.26 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.966 2.506 . . . . 0.0 112.973 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.4 HG23 ' H ' ' A' 1518 ' ' LEU . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.4 ' H ' HG23 ' A' 1507 ' ' THR . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' ASP . . . . . 0.606 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.445 HD12 ' H ' ' A' 1540 ' ' LEU . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1582 ' ' LYS . . . . . 0.451 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1584 ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.1 mt -64.08 -47.92 78.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.647 -169.178 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 22.19 2.77 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.663 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -65.74 158.12 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.025 -1.672 . . . . 0.0 110.776 175.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER -120.46 2.22 10.72 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -144.31 168.36 20.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.945 2.498 . . . . 0.0 104.815 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.467 ' C ' ' CD ' ' B' ' 20' ' ' MLY . . . . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.699 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -44.35 156.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 124.638 1.211 . . . . 0.0 110.332 -174.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.327 0.0 OUTLIER 56.85 167.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 129.68 3.192 . . . . 0.0 114.024 176.953 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -156.48 -57.07 0.09 Allowed 'General case' 0 C--N 1.34 0.19 0 O-C-N 120.856 -1.152 . . . . 0.0 110.328 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 38.13 46.03 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.375 1.87 . . . . 0.0 114.031 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.555 1.142 . . . . 0.0 112.085 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.07 6.4 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.389 -168.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.561 1.544 . . . . 0.0 108.87 -168.795 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -68.63 -41.4 79.51 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.617 -0.931 . . . . 0.0 110.447 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -84.49 165.28 18.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.689 0.796 . . . . 0.0 109.606 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.28 162.4 34.42 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.931 2.092 . . . . 0.0 107.692 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.1 m -57.33 117.8 4.47 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.211 1.005 . . . . 0.0 110.705 -173.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.87 -68.42 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 128.199 2.6 . . . . 0.0 114.615 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.621 ' CE3' HH12 ' B' ' 20' ' ' MLY . 48.3 t-105 -84.63 77.9 9.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.7 m -57.61 -21.34 38.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.047 0.939 . . . . 0.0 113.397 -170.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -60.49 -21.77 62.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.574 1.15 . . . . 0.0 113.289 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 53.5 t30 -150.91 -46.23 0.12 Allowed 'General case' 0 C--N 1.347 0.476 0 CA-C-N 120.024 1.284 . . . . 0.0 113.485 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.68 174.88 25.18 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 119.182 0.901 . . . . 0.0 112.871 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 69.42 164.52 0.25 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.434 2.694 . . . . 0.0 111.977 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.419 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.515 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.57 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.485 HD12 ' H ' ' A' 1540 ' ' LEU . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1593 ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.57 HD22 HD23 ' A' 1534 ' ' LEU . 2.5 mt -62.94 -41.83 99.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -173.939 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.17 46.7 0.62 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.954 1.701 . . . . 0.0 113.245 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -71.47 157.21 38.43 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.068 -1.645 . . . . 0.0 110.603 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER -99.83 -12.28 20.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.593 HH11 ' CD2' ' B' ' 18' ' ' HIS . 72.4 mtt85 -141.83 172.85 12.12 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 128.646 2.778 . . . . 0.0 105.436 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.621 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 169.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' B' ' 22' ' ' LEU . 11.8 t -147.78 -116.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.642 HD13 ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -41.87 166.66 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 129.296 3.038 . . . . 0.0 115.328 173.051 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -153.78 161.68 41.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 62.96 -52.34 0.18 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.846 2.858 . . . . 0.0 117.313 169.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.54 33.77 0.9 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.41 1.084 . . . . 0.0 111.196 -175.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.06 10.18 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.109 -168.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.29 1.436 . . . . 0.0 108.577 -169.358 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' -1' ' ' MET . 8.7 t60 59.83 177.81 0.09 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.333 1.853 . . . . 0.0 112.453 -172.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' MET . . . . . 0.41 ' H ' ' CG ' ' A' ' -2' ' ' HIS . 99.8 mmm -64.9 164.89 11.67 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.883 1.273 . . . . 0.0 110.705 174.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 53.3 t30 -140.44 158.98 43.19 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.424 1.49 . . . . 0.0 108.322 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -72.0 97.58 1.91 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.269 0.628 . . . . 0.0 109.758 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 67.09 -67.36 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.027 2.131 . . . . 0.0 113.824 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.496 ' CE3' HH12 ' B' ' 20' ' ' MLY . 53.1 t-105 -71.83 111.43 7.09 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -56.79 -21.51 29.15 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.425 1.89 . . . . 0.0 115.297 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.9 m -76.23 48.11 0.5 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.784 1.234 . . . . 0.0 111.114 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 36.76 55.21 1.17 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 128.895 2.878 . . . . 0.0 114.042 -173.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -112.76 -161.25 15.05 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 -85.89 -169.31 2.58 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.481 0.713 . . . . 0.0 110.897 -173.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.501 ' CD2' HG13 ' B' ' 21' ' ' VAL . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1534 ' ' LEU . 1.5 mt -61.74 -41.85 98.2 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 -178.185 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.69 164.49 16.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.758 0.823 . . . . 0.0 111.193 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -161.69 165.36 28.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.739 1.616 . . . . 0.0 107.96 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' B' ' 22' ' ' LEU . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 -105.75 -12.12 16.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' B' ' 18' ' ' HIS . 70.8 mmt-85 -145.21 166.67 24.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.984 2.514 . . . . 0.0 104.914 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.496 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 117.586 2.439 . . . . 0.0 117.586 -170.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.618 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -44.62 160.37 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 O-C-N 124.671 1.232 . . . . 0.0 112.525 -173.432 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.282 0.0 OUTLIER 51.14 -175.16 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.315 2.246 . . . . 0.0 113.055 -177.377 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -156.18 149.35 24.38 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 120.968 -1.083 . . . . 0.0 109.09 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -146.43 166.34 26.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.188 1.395 . . . . 0.0 108.138 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.92 -9.94 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.41 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -82.52 -2.23 6.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.161 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.255 1.388 0 C-N-CA 126.642 1.977 . . . . 0.0 109.464 -169.078 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.506 0.503 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -150.82 167.97 25.86 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.901 1.28 . . . . 0.0 109.394 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.43 166.78 7.81 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.452 1.101 . . . . 0.0 112.483 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -143.44 166.4 24.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.248 2.219 . . . . 0.0 106.606 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 46.3 m -57.51 -49.33 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -152.29 -53.32 0.12 Allowed 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.607 0.567 . . . . 0.0 109.789 -170.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.589 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.5 t-105 -92.12 116.03 28.59 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.4 m -65.95 -37.41 85.95 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -74.56 -21.38 59.54 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -168.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.37 -3.27 1.94 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.301 0.955 . . . . 0.0 112.575 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 77.14 -178.77 51.03 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 118.519 0.6 . . . . 0.0 111.771 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 75.93 162.54 0.24 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.488 2.715 . . . . 0.0 110.5 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.425 ' CD1' ' HE2' ' B' ' 20' ' ' MLY . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.649 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.523 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.649 HD22 HD23 ' A' 1534 ' ' LEU . 6.3 mt -64.2 -43.12 96.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -172.018 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.41 54.49 1.15 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.559 1.544 . . . . 0.0 112.344 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -75.76 162.77 27.91 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.126 -1.609 . . . . 0.0 109.55 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -104.02 -13.44 16.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.5 mtt85 -142.47 167.93 20.93 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.854 2.062 . . . . 0.0 107.216 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.589 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.628 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.7 t -145.4 169.77 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 102.967 -2.975 . . . . 0.0 102.967 168.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.628 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.316 0.0 OUTLIER 47.57 -172.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.472 2.709 . . . . 0.0 115.277 172.882 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -148.23 160.53 42.86 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.78 -1.2 . . . . 0.0 108.223 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -147.1 165.39 30.08 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 0.0 108.273 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -62.21 -18.79 62.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -168.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.456 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -85.15 3.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -169.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.38 1.872 . . . . 0.0 109.343 -168.409 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -70.77 -35.53 72.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.842 -0.799 . . . . 0.0 111.542 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -73.69 158.83 33.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.804 0.841 . . . . 0.0 110.477 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.99 35.99 2.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.851 1.261 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.3 m 66.16 -66.35 0.17 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 127.729 2.412 . . . . 0.0 114.406 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -143.47 -55.12 0.39 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 123.951 0.9 . . . . 0.0 108.803 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.529 ' CE3' HH12 ' B' ' 20' ' ' MLY . 36.5 t-105 -85.15 89.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.5 m -55.32 -30.44 60.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.171 0.989 . . . . 0.0 113.233 -170.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -68.06 -12.36 60.69 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -147.19 -50.31 0.19 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.562 1.073 . . . . 0.0 111.536 170.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.79 -179.76 27.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -172.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 71.32 163.22 0.26 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.913 2.485 . . . . 0.0 111.876 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.432 HG23 ' H ' ' A' 1518 ' ' LEU . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.432 ' H ' HG23 ' A' 1507 ' ' THR . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 20' ' ' MLY . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' 1530 ' ' LYS 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.474 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.521 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.586 HD22 HG21 ' B' ' 21' ' ' VAL . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.474 HD22 HD23 ' A' 1534 ' ' LEU . 1.4 mt -65.63 -49.99 66.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.906 -1.496 . . . . 0.0 110.626 -168.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.11 -175.15 4.95 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.551 1.14 . . . . 0.0 108.054 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -72.18 160.47 32.37 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.95 -1.094 . . . . 0.0 110.705 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -100.91 -23.42 14.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.492 HH11 ' CD2' ' B' ' 18' ' ' HIS . 82.2 mtt85 -142.72 142.65 32.01 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 130.122 3.369 . . . . 0.0 103.404 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.529 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-N 119.204 0.911 . . . . 0.0 110.837 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' 1547 ' ' LEU . 1.5 t -152.77 10.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.153 0.981 . . . . 0.0 110.631 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.96 165.76 31.42 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -169.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -148.99 -2.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 148.82 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.943 0.497 . . . . 0.0 110.066 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -149.37 23.84 0.91 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.665 0.786 . . . . 0.0 112.002 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 -2.35 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.487 -169.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.95 2.1 . . . . 0.0 109.166 -168.111 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -151.4 162.16 41.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.889 1.276 . . . . 0.0 108.57 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -150.96 146.31 26.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.195 1.398 . . . . 0.0 108.201 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.3 t30 -136.68 145.0 44.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.076 1.35 . . . . 0.0 107.725 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.7 m -61.66 111.88 2.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.523 0.329 . . . . 0.0 110.779 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 63.21 -67.87 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.827 2.451 . . . . 0.0 113.245 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -89.5 89.74 7.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.5 m -56.6 -28.56 60.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.329 1.051 . . . . 0.0 112.567 -171.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -69.38 -9.21 52.45 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -143.75 -47.35 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.3 1.409 . . . . 0.0 113.836 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 158.11 -42.87 0.5 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 118.142 2.017 . . . . 0.0 118.142 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -74.28 168.79 18.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.316 1.558 . . . . 0.0 112.361 -169.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.493 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.471 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.564 HD22 HG21 ' B' ' 21' ' ' VAL . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.493 HD22 HD23 ' A' 1534 ' ' LEU . 3.0 mt -64.16 -40.39 96.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -172.236 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 120.022 -0.321 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.02 34.64 3.58 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.443 1.097 . . . . 0.0 111.458 -169.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -69.31 157.08 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 120.276 -1.515 . . . . 0.0 111.174 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -96.28 -24.19 16.32 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.555 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -144.8 142.51 30.03 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 129.545 3.138 . . . . 0.0 102.831 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.358 0 CA-C-N 119.012 0.824 . . . . 0.0 110.699 -171.704 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' 1547 ' ' LEU . 0.6 OUTLIER -148.99 7.48 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 121.757 0.789 . . . . 0.0 111.64 -179.159 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.91 170.24 19.77 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.031 -1.043 . . . . 0.0 108.528 -169.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.96 -26.85 2.59 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.681 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . 0.259 26.5 t0 62.62 164.78 0.11 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.154 1.782 . . . . 0.0 112.805 -172.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.24 -7.68 19.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 117.576 2.436 . . . . 0.0 117.576 -168.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.25 0.08 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.05 1.74 . . . . 0.0 108.86 -168.743 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.72 -28.72 67.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 117.546 0.673 . . . . 0.0 111.877 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.0 mtm -138.99 159.35 42.36 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 109.055 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -74.35 156.22 37.33 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.471 0.709 . . . . 0.0 111.253 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.9 m -47.1 110.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.506 1.522 . . . . 0.0 110.74 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 64.63 -59.07 0.23 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 127.057 2.143 . . . . 0.0 112.845 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.733 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.4 t-105 -83.55 90.86 7.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.2 m -57.24 -28.37 62.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.3 m -69.77 -11.33 60.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -146.19 -50.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.605 1.093 . . . . 0.0 111.209 170.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.28 178.32 24.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -172.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 72.63 160.93 0.24 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.183 2.593 . . . . 0.0 111.856 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.516 ' CB ' HH13 ' B' ' 20' ' ' MLY . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.538 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.526 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1552 ' ' TYR . . . . . 0.464 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.538 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -64.79 -48.73 73.38 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.611 -169.307 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.29 13.69 2.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.659 1.983 . . . . 0.0 115.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt -86.09 158.75 19.73 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 120.086 -1.634 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -28.78 3.04 Favored 'General case' 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -147.99 171.72 15.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.418 2.287 . . . . 0.0 106.593 -168.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.733 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 120.514 1.506 . . . . 0.0 107.063 168.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.406 ' HB ' HD13 ' B' ' 22' ' ' LEU . 3.2 t -147.37 -131.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 172.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -25.27 154.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.731 2.812 . . . . 0.0 116.951 169.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -154.22 168.03 27.93 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.919 -1.113 . . . . 0.0 109.269 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -146.01 171.91 14.17 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.045 1.738 . . . . 0.0 107.164 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.98 -23.2 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -169.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.416 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -93.34 13.39 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 123.138 0.575 . . . . 0.0 112.031 -169.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.635 1.574 . . . . 0.0 108.084 -169.049 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -142.6 164.31 30.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.81 1.244 . . . . 0.0 109.412 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -140.76 176.78 8.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.406 1.482 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -131.3 152.6 50.4 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.24 1.416 . . . . 0.0 108.903 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -65.83 110.95 3.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.276 0.631 . . . . 0.0 110.357 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 62.35 -65.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.816 2.446 . . . . 0.0 114.069 173.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.617 ' HB2' HD22 ' A' 1517 ' ' LEU . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.557 ' CD2' ' HE2' ' B' ' 20' ' ' MLY . 48.0 t-105 -73.2 112.34 9.16 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -28.56 47.54 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.5 m -76.35 67.82 2.63 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 1.5 p-10 45.87 36.38 2.85 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.254 2.222 . . . . 0.0 113.503 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -99.36 -179.85 31.02 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 122.626 1.126 . . . . 0.0 113.858 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -81.88 -173.21 4.34 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 113.745 -1.228 . . . . 0.0 110.796 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' 1493 ' ' ALA . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.446 ' H ' HG23 ' A' 1507 ' ' THR . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.463 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.505 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.463 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER -66.84 -45.44 78.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.325 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -178.239 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.92 44.08 0.37 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.572 1.549 . . . . 0.0 113.852 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.1 157.75 35.47 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 120.116 -1.615 . . . . 0.0 111.635 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.407 ' CZ ' HD12 ' B' ' 22' ' ' LEU . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER -92.75 -24.8 18.45 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.525 HH11 ' CD2' ' B' ' 18' ' ' HIS . 78.9 mtt85 -127.43 165.31 20.05 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.359 3.063 . . . . 0.0 104.501 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.557 ' HE2' ' CD2' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.814 0.816 . . . . 0.0 109.317 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.549 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -174.27 13.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 129.638 3.175 . . . . 0.0 108.375 -171.312 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.549 HD13 ' H ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -158.23 159.82 36.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -168.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -151.59 154.57 36.71 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.351 0.523 . . . . 0.0 110.145 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -146.48 173.1 12.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.089 2.155 . . . . 0.0 106.332 171.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -55.32 -22.22 18.11 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -168.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.424 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -90.85 7.11 4.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 122.892 0.477 . . . . 0.0 112.248 -170.078 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.291 1.436 . . . . 0.0 108.413 -168.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -69.22 -26.79 64.98 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.602 -0.94 . . . . 0.0 112.032 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 62.5 mtt -134.0 166.0 23.73 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.891 1.276 . . . . 0.0 109.674 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -149.45 154.97 39.66 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.839 1.656 . . . . 0.0 107.895 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.6 m -59.67 98.93 0.05 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.775 1.23 . . . . 0.0 110.827 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 64.43 -63.49 0.16 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 128.284 2.634 . . . . 0.0 113.472 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.728 ' CE3' HH12 ' B' ' 20' ' ' MLY . 33.8 t-105 -85.11 96.93 9.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.3 m -58.62 -31.55 68.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -73.17 -7.9 53.44 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -147.21 -42.62 0.18 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.548 1.067 . . . . 0.0 111.831 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 140.19 177.9 16.39 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 74.84 162.28 0.25 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.201 2.601 . . . . 0.0 111.772 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 21' ' ' VAL . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.438 HG23 ' H ' ' A' 1518 ' ' LEU . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.438 ' H ' HG23 ' A' 1507 ' ' THR . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.493 ' CB ' HH13 ' B' ' 20' ' ' MLY . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.475 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.483 HD12 ' H ' ' A' 1540 ' ' LEU . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.475 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -62.2 -46.4 89.07 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 110.772 -169.146 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.2 165.68 32.16 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.501 1.52 . . . . 0.0 108.804 176.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -170.26 168.15 8.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.831 2.053 . . . . 0.0 107.199 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' B' ' 22' ' ' LEU . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.426 ' CD2' ' H ' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.28 -37.2 64.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.426 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 26.2 mtt-85 -149.15 159.91 43.83 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.985 2.514 . . . . 0.0 106.305 -167.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.728 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 119.001 0.819 . . . . 0.0 109.799 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' 1502 ' ' TYR . 1.5 t -154.67 5.95 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.03 0.932 . . . . 0.0 112.354 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD ' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -158.38 166.71 31.61 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -172.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -136.54 174.92 10.09 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.87 21.75 14.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.127 1.371 . . . . 0.0 111.986 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.68 35.21 0.83 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.017 1.327 . . . . 0.0 111.723 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.49 5.16 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.343 -1.299 . . . . 0.0 113.161 -168.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.206 1.402 . . . . 0.0 108.371 -169.281 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -150.76 158.21 43.87 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.223 1.409 . . . . 0.0 108.694 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 85.4 mtp -145.12 148.73 33.94 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.826 1.25 . . . . 0.0 108.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.35 147.75 52.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.8 m -61.59 109.95 1.34 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.131 0.572 . . . . 0.0 110.473 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 66.61 -63.62 0.25 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.288 2.235 . . . . 0.0 113.309 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.436 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.523 ' CE3' HH12 ' B' ' 20' ' ' MLY . 33.8 t-105 -85.66 85.88 7.39 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 12.8 m -55.51 -27.92 51.57 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.2 m -66.64 -14.52 62.55 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -145.38 -51.99 0.26 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 153.44 176.05 25.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 70.75 162.14 0.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 128.266 2.627 . . . . 0.0 111.856 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.403 HG23 ' H ' ' A' 1518 ' ' LEU . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' 1507 ' ' THR . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.572 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' 1540 ' ' LEU . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.572 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt -62.75 -40.06 96.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -170.776 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.42 156.77 31.28 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.556 0.742 . . . . 0.0 110.911 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -161.88 163.78 29.02 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.846 1.258 . . . . 0.0 108.7 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -89.64 -22.74 22.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.472 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.5 mtt85 -131.84 172.49 12.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.789 2.035 . . . . 0.0 106.729 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.523 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 121.807 0.813 . . . . 0.0 109.505 173.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.437 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -170.18 12.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 128.744 2.817 . . . . 0.0 109.75 -173.321 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.462 ' N ' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -160.52 154.83 23.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.904 -1.122 . . . . 0.0 110.502 -168.031 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -131.67 55.84 1.84 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.48 31.55 4.78 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.334 1.054 . . . . 0.0 110.032 -169.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -82.71 29.5 0.45 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.008 1.323 . . . . 0.0 112.768 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.58 10.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.393 -168.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.926 1.69 . . . . 0.0 108.51 -168.565 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -75.1 -18.16 60.31 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.89 -0.77 . . . . 0.0 112.832 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -129.51 161.61 30.06 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.484 1.113 . . . . 0.0 110.098 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.74 162.52 38.36 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 126.496 1.918 . . . . 0.0 107.561 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.8 m -43.17 110.12 0.18 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.155 1.382 . . . . 0.0 110.492 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 66.92 -61.0 0.34 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.767 2.027 . . . . 0.0 112.324 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.809 ' CE3' HH12 ' B' ' 20' ' ' MLY . 47.1 t-105 -74.23 111.78 9.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.8 m -56.51 -18.46 11.62 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.861 2.065 . . . . 0.0 115.73 -169.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.7 m -75.77 47.49 0.42 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.974 1.261 . . . . 0.0 111.082 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.1 t30 37.7 53.33 1.46 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.741 2.816 . . . . 0.0 113.73 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -108.12 -162.95 21.06 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 123.711 0.672 . . . . 0.0 112.056 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -79.89 -170.64 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.819 1.248 . . . . 0.0 110.567 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.434 HG23 ' H ' ' A' 1518 ' ' LEU . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1517 ' ' LEU . . . . . 0.468 HD21 HD13 ' A' 1532 ' ' ILE . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.434 ' H ' HG23 ' A' 1507 ' ' THR . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.609 ' HB2' HH13 ' B' ' 20' ' ' MLY . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1493 ' ' ALA . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.427 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.473 HD12 ' H ' ' A' 1540 ' ' LEU . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.489 HD22 HG21 ' B' ' 21' ' ' VAL . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1568 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1568 ' ' LEU . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.427 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER -65.1 -49.35 70.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.174 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -168.651 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.99 21.28 2.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.215 1.006 . . . . 0.0 112.164 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -68.44 158.53 33.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.306 -1.496 . . . . 0.0 110.683 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -113.89 -26.53 8.12 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.553 HH11 ' CD2' ' B' ' 18' ' ' HIS . 77.9 mtt85 -135.96 48.9 2.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.646 1.179 . . . . 0.0 109.939 -171.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.809 HH12 ' CE3' ' A' 1495 ' ' TRP 0.303 . . . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 130.673 3.589 . . . . 0.0 116.43 175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.614 ' HB ' HD13 ' B' ' 22' ' ' LEU . 2.2 t 33.53 -119.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 126.653 1.981 . . . . 0.0 109.328 -169.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.656 HD13 ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -52.21 165.11 0.24 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 128.371 2.668 . . . . 0.0 115.356 -179.742 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -100.01 142.16 31.86 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 168.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -129.85 -9.43 4.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.996 0.918 . . . . 0.0 112.48 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -90.18 76.39 6.88 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.89 4.1 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.577 -169.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.987 1.315 . . . . 0.0 108.761 -169.261 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -69.26 168.45 14.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 117.469 0.634 . . . . 0.0 110.724 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.2 ttt -56.78 148.72 19.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 109.326 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -141.0 153.83 45.74 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 123.835 0.854 . . . . 0.0 109.257 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 113.53 1.78 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.556 1.142 . . . . 0.0 110.153 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 63.83 -62.4 0.16 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.461 2.304 . . . . 0.0 113.129 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.534 ' CE3' HH12 ' B' ' 20' ' ' MLY . 27.1 t-105 -73.6 110.47 7.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 15.4 m -57.37 -15.89 7.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.696 1.998 . . . . 0.0 116.153 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.6 m -75.45 49.25 0.47 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 110.796 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 37.21 53.95 1.27 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.781 2.832 . . . . 0.0 113.857 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.75 11.6 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 123.621 0.629 . . . . 0.0 112.824 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1500 ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' 1589 ' ' SER . 8.7 m-30 -84.76 -172.65 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.96 1.304 . . . . 0.0 111.823 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1501 ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1502 ' ' TYR . . . . . 0.407 ' CD2' HG13 ' B' ' 21' ' ' VAL . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.41 HG23 ' H ' ' A' 1518 ' ' LEU . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' 1507 ' ' THR . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1521 ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.599 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.449 HD12 ' H ' ' A' 1540 ' ' LEU . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.594 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 17' ' ' ARG . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1589 ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.599 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -65.54 -44.03 88.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -172.099 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.915 0 CA-C-O 120.973 0.207 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.32 26.86 3.27 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.779 2.032 . . . . 0.0 114.978 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -104.05 159.22 15.86 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.795 -1.191 . . . . 0.0 109.787 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER -81.76 -27.79 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.515 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -138.95 144.16 38.88 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 129.072 2.949 . . . . 0.0 103.204 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.534 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 123.561 1.648 . . . . 0.0 111.08 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.602 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -151.11 170.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 129.755 3.222 . . . . 0.0 102.324 169.02 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.329 0.0 OUTLIER 47.82 162.6 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 130.075 3.35 . . . . 0.0 116.848 174.375 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -158.53 153.01 24.35 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 120.341 -1.474 . . . . 0.0 107.853 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -66.03 -29.05 69.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.066 0.936 . . . . 0.0 109.997 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 t30 74.27 -15.09 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 129.877 3.271 . . . . 0.0 119.498 168.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.431 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -82.59 9.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.165 0.507 . . . . 0.0 111.373 179.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.413 2.285 . . . . 0.0 107.944 -168.197 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -65.77 -33.41 75.8 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.945 -0.738 . . . . 0.0 111.907 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.3 tpt -147.13 160.46 42.4 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.665 1.586 . . . . 0.0 107.444 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.5 t30 -143.07 148.5 36.78 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.639 0.776 . . . . 0.0 109.18 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 105.06 1.05 Allowed 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.052 0.941 . . . . 0.0 110.096 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 63.59 -62.95 0.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.792 2.437 . . . . 0.0 114.003 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.732 ' CE3' HH12 ' B' ' 20' ' ' MLY . 35.2 t-105 -93.92 103.81 15.89 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 7.1 m -55.33 -37.52 67.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.846 0.858 . . . . 0.0 112.817 -170.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.9 m -75.19 -15.48 60.56 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -142.75 12.04 1.86 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.789 1.177 . . . . 0.0 114.034 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 88.93 -39.67 3.11 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 118.697 2.239 . . . . 0.0 118.697 167.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -76.27 169.5 18.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 119.702 1.751 . . . . 0.0 112.01 -169.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.436 ' HB2' HH13 ' B' ' 20' ' ' MLY . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.5 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.46 HD12 ' H ' ' A' 1540 ' ' LEU . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.5 HD22 HD23 ' A' 1534 ' ' LEU . 5.4 mt -62.78 -40.57 97.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -172.359 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.911 0 CA-C-O 121.126 0.292 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.03 14.64 1.5 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.536 2.334 . . . . 0.0 116.324 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -74.62 155.83 37.4 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.01 -1.681 . . . . 0.0 110.241 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.51 -13.39 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.561 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.1 mtt85 -143.51 167.62 21.79 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.542 1.937 . . . . 0.0 107.107 -175.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.732 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 126.104 1.761 . . . . 0.0 114.548 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' HB ' HD13 ' B' ' 22' ' ' LEU . 2.3 t -60.01 -7.98 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.992 1.717 . . . . 0.0 115.614 -169.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.475 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -154.48 169.39 23.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -177.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -147.74 173.48 12.74 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.298 0.499 . . . . 0.0 110.3 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.56 32.74 0.09 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.208 1.803 . . . . 0.0 113.323 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -87.53 34.42 0.7 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 111.346 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.05 2.19 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.253 -168.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.47 1.508 . . . . 0.0 107.946 -169.717 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.61 -28.02 67.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.543 0.671 . . . . 0.0 112.294 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -143.92 161.04 39.72 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.523 . . . . 0.0 108.432 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.68 147.8 52.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.379 0.672 . . . . 0.0 110.877 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 40.5 m -47.02 109.76 0.23 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.912 1.685 . . . . 0.0 111.486 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.19 -62.73 0.2 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 127.601 2.36 . . . . 0.0 112.977 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1493 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1495 ' ' TRP . . . . . 0.691 ' CE3' HH12 ' B' ' 20' ' ' MLY . 43.6 t-105 -73.76 110.2 7.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 17.0 m -58.11 -15.39 9.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.35 1.86 . . . . 0.0 115.823 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 18.3 m -75.48 48.28 0.43 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.966 1.257 . . . . 0.0 110.983 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.0 t30 37.82 52.95 1.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.726 2.81 . . . . 0.0 113.792 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -109.0 -163.12 20.28 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-O 121.742 0.635 . . . . 0.0 112.573 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -78.44 -177.71 5.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.109 1.364 . . . . 0.0 111.527 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1507 ' ' THR . . . . . 0.412 HG23 ' H ' ' A' 1518 ' ' LEU . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1518 ' ' LEU . . . . . 0.412 ' H ' HG23 ' A' 1507 ' ' THR . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' TYR . . . . . 0.422 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' LYS . . . . . 0.406 ' H ' ' HD3' ' A' 1530 ' ' LYS . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1532 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1534 ' ' LEU . . . . . 0.55 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1540 ' ' LEU . . . . . 0.5 HD12 ' H ' ' A' 1540 ' ' LEU . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1547 ' ' LEU . . . . . 0.435 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1602 ' ' LEU . . . . . 0.55 HD22 HD23 ' A' 1534 ' ' LEU . 1.9 mt -65.35 -39.6 92.54 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.204 -171.35 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.39 162.72 35.75 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.212 1.405 . . . . 0.0 109.429 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -160.98 164.76 30.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.491 1.116 . . . . 0.0 108.145 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -93.01 -21.22 19.88 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.583 HH11 ' CD2' ' B' ' 18' ' ' HIS . 76.6 mtt85 -135.0 160.24 38.95 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 128.906 2.882 . . . . 0.0 104.266 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' MLY . . . . . 0.691 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.33 -0.254 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . 0.677 ' HB ' HD13 ' B' ' 22' ' ' LEU . 7.7 t -141.79 -109.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 169.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.677 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -41.77 158.71 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.437 2.695 . . . . 0.0 115.225 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.46 62.0 5.15 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -127.05 -14.69 5.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.706 1.202 . . . . 0.0 111.888 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 34.14 0.86 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.367 1.079 . . . . 0.0 111.197 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.09 5.17 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.1 -168.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.683 1.593 . . . . 0.0 107.728 -169.825 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 29.0 t-105 . . . . . 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 . . . . . 0 C--O 1.236 0.361 0 CA-C-O 121.007 0.432 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' 1540 ' ' LEU . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.417 ' CZ ' HG12 ' A' 1538 ' ' ILE . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . 0.495 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . 0.495 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 3.5 mt . . . . . 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp . . . . . 0 N--CA 1.47 0.542 0 CA-C-O 117.326 -1.321 . . . . 0.0 108.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 . . . . . 0 N--CA 1.465 0.311 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 44.2 t-105 . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 . . . . . 0 C--O 1.233 0.225 0 CA-C-O 121.395 0.617 . . . . 0.0 111.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.416 HG23 ' H ' ' A' 1518 ' ' LEU . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.416 ' H ' HG23 ' A' 1507 ' ' THR . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . 0.4 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . 0.4 ' CZ ' HG12 ' A' 1538 ' ' ILE . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.9 t-105 . . . . . 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.443 ' CD1' ' HA ' ' A' 1589 ' ' SER . 14.8 m-30 . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 121.635 0.731 . . . . 0.0 109.905 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt . . . . . 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.52 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 . . . . . 0 N--CA 1.468 0.461 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.371 0.605 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.474 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.474 ' H ' HG23 ' A' 1507 ' ' THR . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.539 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' 1540 ' ' LEU . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.539 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt . . . . . 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 N--CA 1.469 0.497 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 57.8 t-105 . . . . . 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 121.331 0.586 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.502 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' B' ' 17' ' ' ARG . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.502 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt . . . . . 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' 1551 ' ' GLU . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 . . . . . 0 CA--C 1.52 -0.202 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 40.2 t-105 . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 C--O 1.233 0.204 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.412 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.564 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' 1540 ' ' LEU . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.564 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt . . . . . 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt . . . . . 0 N--CA 1.466 0.358 0 CA-C-O 119.693 -0.194 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 . . . . . 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 . . . . . 0 N--CA 1.472 0.66 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.4 HG23 ' H ' ' A' 1518 ' ' LEU . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.4 ' H ' HG23 ' A' 1507 ' ' THR . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . 0.451 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.1 mt . . . . . 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt . . . . . 0 N--CA 1.47 0.526 0 CA-C-O 119.723 -0.18 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 N--CA 1.466 0.371 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.3 t-105 . . . . . 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.939 0.399 . . . . 0.0 111.977 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.419 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.57 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.485 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.57 HD22 HD23 ' A' 1534 ' ' LEU . 2.5 mt . . . . . 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.603 -0.147 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 . . . . . 0 N--CA 1.463 0.217 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.158 0.504 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1534 ' ' LEU . 1.5 mt . . . . . 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp . . . . . 0 N--CA 1.467 0.42 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 . . . . . 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.5 t-105 . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.101 0.477 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.649 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.523 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.649 HD22 HD23 ' A' 1534 ' ' LEU . 6.3 mt . . . . . 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp . . . . . 0 N--CA 1.465 0.322 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 CA--C 1.516 -0.336 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 36.5 t-105 . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 121.4 0.619 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.432 HG23 ' H ' ' A' 1518 ' ' LEU . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.432 ' H ' HG23 ' A' 1507 ' ' THR . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' 1530 ' ' LYS 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.474 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.474 HD22 HD23 ' A' 1534 ' ' LEU . 1.4 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp . . . . . 0 CA--C 1.532 0.274 0 CA-C-O 119.572 -0.252 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 113.245 0.831 . . . . 0.0 113.245 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 . . . . . 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.493 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.493 HD22 HD23 ' A' 1534 ' ' LEU . 3.0 mt . . . . . 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 119.676 -0.202 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 N--CA 1.464 0.262 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 37.4 t-105 . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 . . . . . 0 N--CA 1.469 0.495 0 CA-C-O 121.716 0.769 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.538 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . 0.464 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.538 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.723 -0.103 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 N--CA 1.467 0.422 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.617 ' HB2' HD22 ' A' 1517 ' ' LEU . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 48.0 t-105 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 . . . . . 0 N--CA 1.452 -0.375 0 CA-C-O 121.884 0.849 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' 1493 ' ' ALA . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.446 ' H ' HG23 ' A' 1507 ' ' THR . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.463 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.463 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp . . . . . 0 N--CA 1.463 0.203 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 . . . . . 0 C--O 1.225 -0.198 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 . . . . . 0 N--CA 1.473 0.695 0 CA-C-O 121.207 0.527 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.438 HG23 ' H ' ' A' 1518 ' ' LEU . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.438 ' H ' HG23 ' A' 1507 ' ' THR . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.475 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.475 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt . . . . . 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 N--CA 1.466 0.356 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.436 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 33.8 t-105 . . . . . 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 . . . . . 0 N--CA 1.471 0.613 0 CA-C-O 121.456 0.646 . . . . 0.0 111.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.403 HG23 ' H ' ' A' 1518 ' ' LEU . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' 1507 ' ' THR . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.572 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' 1540 ' ' LEU . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.572 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm . . . . . 0 N--CA 1.467 0.39 0 CA-C-O 117.476 -1.25 . . . . 0.0 108.7 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 . . . . . 0 N--CA 1.467 0.375 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 47.1 t-105 . . . . . 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 . . . . . 0 N--CA 1.455 -0.185 0 CA-C-O 121.821 0.82 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.434 HG23 ' H ' ' A' 1518 ' ' LEU . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . 0.468 HD21 HD13 ' A' 1532 ' ' ILE . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.434 ' H ' HG23 ' A' 1507 ' ' THR . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1493 ' ' ALA . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.427 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1568 ' ' LEU . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.427 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt . . . . . 0 N--CA 1.47 0.535 0 CA-C-O 119.476 -0.297 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 . . . . . 0 N--CA 1.467 0.418 0 N-CA-C 113.129 0.789 . . . . 0.0 113.129 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 27.1 t-105 . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' 1589 ' ' SER . 8.7 m-30 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.217 0.532 . . . . 0.0 111.823 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.41 HG23 ' H ' ' A' 1518 ' ' LEU . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' 1507 ' ' THR . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.599 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' 1540 ' ' LEU . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 17' ' ' ARG . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.599 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.468 0.451 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 35.2 t-105 . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 121.365 0.602 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.5 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' 1540 ' ' LEU . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.5 HD22 HD23 ' A' 1534 ' ' LEU . 5.4 mt . . . . . 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt . . . . . 0 N--CA 1.467 0.411 0 CA-C-O 119.506 -0.283 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 . . . . . 0 N--CA 1.464 0.261 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1493 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 43.6 t-105 . . . . . 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 . . . . . 0 C--O 1.235 0.303 0 CA-C-O 121.077 0.465 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1507 ' ' THR . . . . . 0.412 HG23 ' H ' ' A' 1518 ' ' LEU . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' LEU . . . . . 0.412 ' H ' HG23 ' A' 1507 ' ' THR . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' LEU . . . . . 0.55 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' LEU . . . . . 0.5 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1602 ' ' LEU . . . . . 0.55 HD22 HD23 ' A' 1534 ' ' LEU . 1.9 mt . . . . . 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -150.24 150.41 31.52 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 124.883 1.273 . . . . 0.0 108.478 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 90.9 mtp -149.66 168.51 23.39 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.927 1.691 . . . . 0.0 108.632 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.6 t30 -133.72 150.21 51.5 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 125.106 1.362 . . . . 0.0 108.002 170.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 37.1 m -61.4 102.49 0.24 Allowed 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.436 1.094 . . . . 0.0 110.678 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 63.3 -64.22 0.12 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 127.847 2.459 . . . . 0.0 113.672 174.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.0 t -62.23 119.83 7.13 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 118.806 0.73 . . . . 0.0 109.14 -172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.38 18.78 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 126.181 1.848 . . . . 0.0 112.556 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.55 135.8 47.2 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 118.813 1.306 . . . . 0.0 111.989 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -78.16 131.42 37.19 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 105.86 -1.904 . . . . 0.0 105.86 167.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 22.8 m -145.81 179.01 1.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.357 1.863 . . . . 0.0 106.534 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.9 t -114.17 140.69 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 169.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -139.27 149.51 44.37 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.766 1.226 . . . . 0.0 108.53 -169.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.9 tttt -83.18 134.87 34.95 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.642 ' CE3' HH12 ' B' ' 20' ' ' MLY . 29.0 t-105 -73.56 111.55 8.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.0 m -56.19 -15.71 4.19 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 17.4 m -76.33 49.66 0.6 Allowed 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.945 1.248 . . . . 0.0 110.923 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.5 t30 38.34 49.35 1.32 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 128.547 2.739 . . . . 0.0 113.782 -171.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -103.33 -164.88 25.54 Favored Glycine 0 CA--C 1.523 0.589 0 C-N-CA 123.83 0.729 . . . . 0.0 112.589 -177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -81.77 -178.77 7.12 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.089 1.356 . . . . 0.0 111.765 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -96.68 129.23 44.12 Favored 'General case' 0 N--CA 1.446 -0.671 0 C-N-CA 124.337 1.055 . . . . 0.0 108.726 176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.45 ' CD2' HG13 ' B' ' 21' ' ' VAL . 74.3 m-85 -129.43 155.43 45.71 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.118 1.767 . . . . 0.0 108.988 -177.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.4 m -69.14 142.52 54.36 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 123.093 0.557 . . . . 0.0 111.194 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.55 166.69 37.39 Favored Glycine 0 C--N 1.333 0.38 0 O-C-N 121.656 -0.652 . . . . 0.0 111.604 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -104.86 130.95 52.9 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.5 mt -69.62 117.05 11.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 45.2 p -83.92 -33.57 24.69 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -171.88 142.09 1.46 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 123.271 0.628 . . . . 0.0 111.19 -170.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.78 113.15 10.6 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 102.992 -2.966 . . . . 0.0 102.992 167.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.4 t -65.19 -53.64 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 -179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.54 164.28 10.91 Favored Glycine 0 C--N 1.336 0.531 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.75 10.52 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.11 -10.62 31.58 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 125.583 1.563 . . . . 0.0 110.995 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.89 140.31 43.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 120.026 1.913 . . . . 0.0 108.389 170.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -127.3 132.98 50.19 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 105.276 -2.12 . . . . 0.0 105.276 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -83.67 142.16 30.97 Favored 'General case' 0 CA--C 1.509 -0.625 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 176.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.28 118.21 21.94 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.532 -1.284 . . . . 0.0 107.532 -169.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 30.8 tp -84.61 92.57 8.18 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 102.499 -3.148 . . . . 0.0 102.499 168.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -54.57 151.81 7.54 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.415 -0.958 . . . . 0.0 108.415 173.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.52 -16.06 63.37 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.282 -0.886 . . . . 0.0 111.473 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 51.3 p30 -75.84 -5.21 44.84 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.951 0.9 . . . . 0.0 112.568 169.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.98 -5.45 75.92 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 118.438 -1.201 . . . . 0.0 113.026 175.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.466 ' CB ' HH13 ' B' ' 20' ' ' MLY . 23.4 m-85 -65.22 154.97 36.55 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.341 1.571 . . . . 0.0 108.504 169.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.05 117.42 11.36 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -150.08 146.42 26.93 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -169.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.66 140.9 53.68 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 168.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 74.7 t -138.9 135.71 42.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.51 152.46 40.66 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 121.475 -0.766 . . . . 0.0 109.93 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.33 -40.37 76.05 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.501 1.048 . . . . 0.0 113.347 -174.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -19.38 63.42 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.642 -0.917 . . . . 0.0 112.551 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -99.95 16.25 24.49 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.111 1.364 . . . . 0.0 111.779 -175.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.91 138.47 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 120.595 -1.316 . . . . 0.0 107.512 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 67.0 mt -121.68 109.76 15.14 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 128.623 2.769 . . . . 0.0 104.148 -170.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.632 HD23 HD22 ' A' 1602 ' ' LEU . 0.6 OUTLIER -104.62 -4.65 22.27 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 116.973 2.212 . . . . 0.0 116.973 -168.711 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 24.2 p -133.38 52.95 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 105.177 -2.157 . . . . 0.0 105.177 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -120.29 51.5 2.1 Favored Pre-proline 0 CA--C 1.538 0.482 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 -167.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.78 125.38 13.12 Favored 'Trans proline' 0 CA--C 1.545 1.039 0 N-CA-C 101.75 -3.981 . . . . 0.0 101.75 166.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.0 mm -58.82 122.92 65.51 Favored Pre-proline 0 CA--C 1.544 0.715 0 CA-C-N 119.065 0.848 . . . . 0.0 109.94 -168.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.8 Cg_endo -65.41 142.76 73.62 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 121.721 1.614 . . . . 0.0 110.414 173.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.468 ' H ' HD12 ' A' 1540 ' ' LEU . 5.5 mp -64.69 150.78 46.54 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 114.761 -1.109 . . . . 0.0 108.152 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.8 t70 74.78 -7.79 1.66 Allowed 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.828 2.051 . . . . 0.0 113.607 -171.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.0 m -68.15 138.08 55.4 Favored 'General case' 0 C--O 1.239 0.533 0 O-C-N 120.741 -1.224 . . . . 0.0 108.73 170.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -83.56 137.71 33.72 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 174.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 7.6 m -146.93 159.22 9.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 124.582 1.153 . . . . 0.0 108.78 -174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 30.9 m -91.03 152.13 20.77 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 169.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.23 136.47 43.67 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.434 1.494 . . . . 0.0 107.873 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.36 116.21 21.53 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.982 0.913 . . . . 0.0 109.324 -178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -65.9 155.39 36.57 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -65.64 -29.96 70.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.717 0.407 . . . . 0.0 110.236 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -78.7 27.0 0.22 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.998 1.319 . . . . 0.0 111.722 172.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.419 0.7 OUTLIER 41.27 59.69 2.27 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 129.442 3.097 . . . . 0.0 115.809 177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -109.93 139.02 45.49 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 168.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.602 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.99 137.89 51.48 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -173.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 59.6 m -151.16 176.22 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.817 1.247 . . . . 0.0 108.89 169.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.2 151.55 51.36 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 169.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.72 -161.51 19.01 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 -170.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.2 140.78 46.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 CA-C-N 118.367 1.083 . . . . 0.0 109.532 -172.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 64.1 t -64.65 129.3 28.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -131.45 10.22 4.79 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.86 0.755 . . . . 0.0 112.255 172.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.53 -175.67 47.53 Favored Glycine 0 C--N 1.333 0.381 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 173.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 10.4 m80 -141.78 153.96 44.91 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.639 1.976 . . . . 0.0 109.877 -170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.8 ttt85 -146.93 159.03 44.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 171.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -128.71 129.56 45.94 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -148.84 131.42 15.84 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 -177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 29.2 m 49.06 33.84 5.14 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.668 1.187 . . . . 0.0 113.476 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 72.55 28.38 67.64 Favored Glycine 0 CA--C 1.531 1.081 0 CA-C-O 119.504 -0.609 . . . . 0.0 112.452 178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -131.38 152.0 51.02 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 177.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.47 130.29 54.85 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.416 1.486 . . . . 0.0 108.753 -169.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -126.57 158.07 37.19 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.809 1.644 . . . . 0.0 109.846 -169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.417 ' CZ ' HG12 ' A' 1538 ' ' ILE . 51.9 m-85 -134.88 136.7 42.58 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.3 103.88 15.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 105.241 -2.133 . . . . 0.0 105.241 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.1 mm -85.5 113.77 24.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 105.208 -2.145 . . . . 0.0 105.208 176.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -72.72 132.15 43.28 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 169.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -144.7 144.16 31.08 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 169.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 51.24 33.23 9.28 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.186 0.994 . . . . 0.0 112.184 -177.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.25 20.15 77.92 Favored Glycine 0 CA--C 1.532 1.146 0 CA-C-O 119.003 -0.887 . . . . 0.0 113.781 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.87 149.58 45.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.564 1.182 . . . . 0.0 109.468 174.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -83.95 140.38 31.97 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.691 -0.631 . . . . 0.0 109.469 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.0 tmtm? -131.76 127.42 36.72 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.61 132.34 36.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 118.684 0.675 . . . . 0.0 109.956 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -135.33 158.58 44.0 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.746 1.218 . . . . 0.0 109.258 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . 0.495 ' HE3' ' SD ' ' A' 1584 ' ' MET . 48.0 pttt -99.99 158.12 16.05 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.541 1.136 . . . . 0.0 109.902 -176.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -43.74 -51.51 7.17 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.05 1.295 . . . . 0.0 113.591 -177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . 0.495 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.4 ppp? -65.41 -20.67 66.47 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.229 0.922 . . . . 0.0 113.39 -176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -92.42 -19.19 22.31 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.459 1.504 . . . . 0.0 110.948 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 71.6 t -95.17 90.27 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.8 pt -101.76 141.12 18.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -170.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.1 mt -96.93 113.63 25.18 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 104.546 -2.391 . . . . 0.0 104.546 -175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.93 147.84 11.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 174.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.1 pp -57.52 -32.18 66.79 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 -168.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.64 -24.66 45.13 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.544 1.066 . . . . 0.0 110.519 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -70.01 -54.47 13.05 Favored 'General case' 0 C--O 1.223 -0.34 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 171.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.79 -33.68 68.71 Favored Glycine 0 C--N 1.341 0.806 0 C-N-CA 123.817 0.722 . . . . 0.0 112.092 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -55.08 -44.01 74.45 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 117.851 0.826 . . . . 0.0 111.559 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 17.6 mtt85 -61.44 -23.61 65.96 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 119.042 -0.504 . . . . 0.0 112.247 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.3 mm? -89.94 -27.7 19.65 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 118.639 0.654 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.2 ttp85 -55.41 -40.9 72.02 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.508 1.049 . . . . 0.0 111.768 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.22 -19.88 62.15 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -113.8 -44.32 3.19 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.633 1.106 . . . . 0.0 111.223 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.2 m-30 -103.06 -7.43 21.38 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.726 1.611 . . . . 0.0 113.298 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.7 135.8 51.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.632 HD22 HD23 ' A' 1534 ' ' LEU . 3.5 mt -66.29 -42.85 87.8 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.641 1.221 . . . . 0.0 110.623 176.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.19 0 CA-C-O 118.373 -1.237 . . . . 0.0 110.284 -171.214 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 CA-C-O 119.857 -0.413 . . . . 0.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -142.96 165.98 25.89 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.9 tptp -161.81 164.77 28.63 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.054 1.342 . . . . 0.0 108.594 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -39.85 124.71 1.79 Allowed 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.845 1.202 . . . . 0.0 110.07 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.602 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.2 OUTLIER -103.99 -17.68 14.88 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -168.629 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.578 HH11 ' CD2' ' B' ' 18' ' ' HIS . 71.1 mtt85 -141.67 166.77 23.83 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.693 1.997 . . . . 0.0 107.484 -176.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.642 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 173.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.592 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.1 t -148.57 177.08 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.715 0 C-N-CA 129.947 3.299 . . . . 0.0 104.251 169.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.592 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.358 0.0 OUTLIER 46.67 166.19 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 130.409 3.483 . . . . 0.0 117.307 171.265 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -166.11 -174.79 3.08 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 120.055 -1.653 . . . . 0.0 107.469 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -149.0 152.95 37.19 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.573 1.149 . . . . 0.0 109.679 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 69.07 24.67 6.08 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.948 1.699 . . . . 0.0 113.536 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.97 11.8 4.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 122.495 0.318 . . . . 0.0 111.716 -170.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.588 1.555 . . . . 0.0 108.417 -168.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -67.82 -28.2 67.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.999 -0.706 . . . . 0.0 112.249 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.2 mtm -138.56 165.85 25.82 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 125.372 1.469 . . . . 0.0 109.434 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 43.7 t30 -62.73 151.83 37.4 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.012 0.925 . . . . 0.0 111.035 173.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 48.1 m -60.87 112.72 2.16 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 123.775 0.83 . . . . 0.0 110.539 174.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.5 m-85 62.25 -67.42 0.07 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 127.929 2.492 . . . . 0.0 113.906 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.3 t -60.46 111.52 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 C-N-CA 125.807 1.643 . . . . 0.0 108.847 -172.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.73 -19.56 15.98 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 126.137 1.827 . . . . 0.0 112.684 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.25 138.45 43.66 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.091 1.445 . . . . 0.0 110.61 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -80.93 126.63 31.6 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 168.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.7 m -142.71 -170.22 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.552 1.941 . . . . 0.0 107.094 -173.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 21.9 t -125.6 150.87 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 104.978 -2.23 . . . . 0.0 104.978 169.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -146.77 149.02 32.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.079 -1.013 . . . . 0.0 108.467 -170.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.7 tttt -82.77 135.45 34.98 Favored 'General case' 0 CA--C 1.508 -0.642 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.437 ' CE2' ' HE2' ' B' ' 20' ' ' MLY . 44.2 t-105 -71.54 111.01 6.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 169.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -58.19 -18.28 24.84 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.228 1.811 . . . . 0.0 115.288 -169.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -75.9 46.38 0.38 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.66 1.184 . . . . 0.0 111.313 172.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.4 t30 37.78 54.57 1.55 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.967 2.907 . . . . 0.0 113.842 -172.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -111.4 -160.74 16.54 Favored Glycine 0 C--N 1.339 0.697 0 C-N-CA 123.752 0.692 . . . . 0.0 111.568 175.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 20.4 m-30 -82.75 -177.85 6.88 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.946 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -96.23 125.53 40.81 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -123.72 150.83 43.87 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.462 1.505 . . . . 0.0 108.517 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 45.6 m -66.19 146.68 54.35 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 117.871 0.305 . . . . 0.0 110.491 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.76 167.38 40.34 Favored Glycine 0 C--N 1.336 0.555 0 O-C-N 121.77 -0.581 . . . . 0.0 113.071 176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -107.54 132.1 53.62 Favored 'General case' 0 CA--C 1.516 -0.344 0 C-N-CA 125.299 1.44 . . . . 0.0 107.776 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 23.1 mt -72.61 115.63 13.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.416 HG23 ' H ' ' A' 1518 ' ' LEU . 41.6 p -84.16 -37.85 21.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 119.414 -0.327 . . . . 0.0 110.715 -175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.87 137.37 1.65 Allowed 'General case' 0 C--N 1.345 0.382 0 C-N-CA 124.185 0.994 . . . . 0.0 109.942 -174.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.11 105.74 2.56 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 168.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.74 -54.6 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -175.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.22 165.1 11.81 Favored Glycine 0 C--N 1.334 0.464 0 N-CA-C 108.503 -1.839 . . . . 0.0 108.503 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.01 9.74 0.51 Allowed 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.478 1.659 . . . . 0.0 115.478 176.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.27 -9.41 33.32 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 125.329 1.442 . . . . 0.0 110.8 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 139.82 42.94 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 119.741 1.77 . . . . 0.0 108.217 171.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -128.15 135.55 49.92 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.088 -2.19 . . . . 0.0 105.088 169.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -84.76 144.11 28.7 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.64 118.83 22.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -169.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.416 ' H ' HG23 ' A' 1507 ' ' THR . 26.8 tp -83.77 90.22 7.29 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 102.581 -3.118 . . . . 0.0 102.581 168.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -53.03 147.87 8.8 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.787 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -66.41 -23.91 66.38 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 121.715 -0.615 . . . . 0.0 109.504 173.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . 0.491 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -68.18 -6.08 21.49 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.87 1.668 . . . . 0.0 112.919 169.769 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.44 -4.56 69.96 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 124.796 1.188 . . . . 0.0 113.722 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.419 ' HB2' HH13 ' B' ' 20' ' ' MLY . 23.0 m-85 -77.91 162.65 26.66 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.408 1.604 . . . . 0.0 111.293 174.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -141.35 108.49 5.48 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.56 1.144 . . . . 0.0 108.617 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 70.9 m -143.64 162.01 37.05 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.58 1.152 . . . . 0.0 109.071 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -69.74 146.1 51.75 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.293 1.037 . . . . 0.0 110.377 170.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.4 t -139.85 141.91 33.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 106.144 -1.799 . . . . 0.0 106.144 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.56 152.49 31.86 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 121.404 -0.81 . . . . 0.0 110.872 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.58 -40.85 71.73 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.912 1.244 . . . . 0.0 113.368 -171.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -25.57 65.78 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.567 -0.961 . . . . 0.0 112.132 179.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -98.59 13.65 31.2 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 125.533 1.533 . . . . 0.0 112.562 -172.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.74 127.37 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 178.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.2 mt -111.75 114.13 26.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 127.575 2.35 . . . . 0.0 105.548 -170.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.87 3.94 14.73 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -171.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 62.1 m -120.06 44.02 2.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -87.31 4.61 0.04 OUTLIER Pre-proline 0 CA--C 1.536 0.428 1 N-CA-C 123.628 4.677 . . . . 0.0 123.628 -167.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -54.07 117.64 4.12 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 CA-C-N 125.713 3.076 . . . . 0.0 107.392 169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . 0.4 HG12 ' CZ ' ' A' 1570 ' ' TYR . 3.1 mm -60.26 123.02 71.11 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 118.375 -0.821 . . . . 0.0 108.916 -168.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.9 139.85 53.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.325 1.35 . . . . 0.0 110.0 172.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.478 ' H ' HD12 ' A' 1540 ' ' LEU . 5.3 mp -63.39 149.02 46.87 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 114.658 -1.156 . . . . 0.0 108.221 -178.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.3 t70 79.0 -7.96 1.7 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.197 2.199 . . . . 0.0 113.638 -171.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.1 m -69.03 139.03 54.91 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 119.831 1.196 . . . . 0.0 108.451 171.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -78.04 141.48 38.83 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.4 m -145.88 154.02 13.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 C-N-CA 124.178 0.991 . . . . 0.0 108.529 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 28.1 m -90.35 151.66 21.36 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 169.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.72 130.34 34.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.912 1.685 . . . . 0.0 106.573 -170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -120.28 119.89 34.48 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 38.8 m -62.34 160.85 12.5 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -69.29 -20.01 63.9 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 121.825 -0.547 . . . . 0.0 110.452 -179.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.9 t0 -88.96 21.02 3.27 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.119 1.368 . . . . 0.0 111.685 169.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.49 8.83 4.57 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 129.006 2.923 . . . . 0.0 115.987 176.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -64.54 128.36 35.45 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 122.347 2.34 . . . . 0.0 109.914 175.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.555 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -96.73 141.79 29.54 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -176.202 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.6 m -151.82 173.11 15.16 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.96 1.704 . . . . 0.0 109.333 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -141.86 146.97 36.43 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 123.16 0.584 . . . . 0.0 109.47 169.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.71 -158.15 10.99 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 108.651 -1.779 . . . . 0.0 108.651 -172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.9 t -132.96 141.07 45.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 118.503 1.151 . . . . 0.0 108.986 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 90.6 t -65.28 128.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 174.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -131.29 12.38 5.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.321 0.648 . . . . 0.0 111.994 171.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.68 -174.29 46.77 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 171.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -143.4 155.23 44.35 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 126.844 2.058 . . . . 0.0 110.236 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.3 ttt180 -150.83 159.37 44.59 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.8 mmtp -124.8 126.81 46.2 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 169.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -150.7 142.33 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.8 m 51.04 27.7 3.44 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 113.341 -175.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.64 33.67 87.87 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 119.363 -0.687 . . . . 0.0 112.325 -176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -139.42 156.76 46.76 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.7 mt -91.63 141.12 29.04 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 123.147 0.579 . . . . 0.0 110.581 -172.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 41.4 m-85 -131.88 154.0 49.64 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 125.48 1.512 . . . . 0.0 109.395 176.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . 0.4 ' CZ ' HG12 ' A' 1538 ' ' ILE . 80.3 m-85 -135.68 133.98 38.68 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.376 -1.712 . . . . 0.0 106.376 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.04 103.65 14.25 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 170.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -88.66 114.12 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.56 120.74 15.8 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 105.755 -1.942 . . . . 0.0 105.755 169.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.28 129.4 19.71 Favored 'General case' 0 CA--C 1.519 -0.223 0 N-CA-C 103.9 -2.63 . . . . 0.0 103.9 -171.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 50.96 34.75 11.12 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.112 0.965 . . . . 0.0 111.949 -169.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.52 16.35 77.55 Favored Glycine 0 CA--C 1.53 1.005 0 CA-C-O 119.353 -0.693 . . . . 0.0 114.376 174.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -137.38 151.78 48.95 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.585 1.154 . . . . 0.0 108.339 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -87.0 141.27 28.79 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.373 0.988 . . . . 0.0 109.275 -171.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtm? -137.14 128.1 27.51 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.97 130.81 35.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 118.827 0.74 . . . . 0.0 109.312 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -131.84 158.97 39.9 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.511 1.125 . . . . 0.0 109.445 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -99.38 159.74 14.79 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.029 -177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -49.02 -43.68 40.72 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.423 1.465 . . . . 0.0 113.698 -175.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -69.44 -23.3 63.66 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 119.586 1.085 . . . . 0.0 113.078 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.22 -24.26 34.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.172 0.989 . . . . 0.0 111.009 174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.9 t -93.97 89.34 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 104.31 -2.478 . . . . 0.0 104.31 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.4 pt -97.82 140.84 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 -175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -95.77 113.99 25.68 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 -172.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.94 143.34 32.35 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 177.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.28 -33.71 67.92 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -168.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.63 -32.43 69.75 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 120.076 1.307 . . . . 0.0 110.166 177.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -72.21 -53.91 11.19 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.44 -25.91 67.48 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 123.819 0.723 . . . . 0.0 112.734 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -56.58 -47.77 78.82 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.647 1.224 . . . . 0.0 110.84 172.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 34.5 mtp85 -60.92 -21.74 63.68 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.58 0.752 . . . . 0.0 111.357 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 9.5 mp -90.76 -28.12 18.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 117.481 -1.247 . . . . 0.0 109.895 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -54.75 -40.94 69.86 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.55 1.977 . . . . 0.0 111.36 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -65.37 -16.83 64.01 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.65 -44.83 3.15 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.796 1.18 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 9.5 m-30 -99.77 -14.07 19.0 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.826 1.25 . . . . 0.0 112.658 -169.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.15 137.81 46.45 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.554 -1.018 . . . . 0.0 110.554 -179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.8 mt -68.02 -39.14 83.19 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 118.089 0.944 . . . . 0.0 110.62 177.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.429 -1.206 . . . . 0.0 110.252 -171.395 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.849 0 CA-C-O 120.898 0.166 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.26 -52.47 47.3 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.419 0.688 . . . . 0.0 112.436 -169.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.86 159.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 127.588 2.355 . . . . 0.0 114.999 -178.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 59.9 ttp85 -35.24 128.28 0.54 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.197 1.799 . . . . 0.0 110.716 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.555 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.3 OUTLIER -117.83 -0.87 11.65 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -167.102 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 73.8 mmt-85 -144.66 168.04 21.12 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 129.456 3.102 . . . . 0.0 103.685 177.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.455 ' C ' ' HD3' ' B' ' 20' ' ' MLY . . . . . . . . 0 C--N 1.326 -0.413 0 N-CA-C 104.21 -2.515 . . . . 0.0 104.21 167.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.684 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.5 t -153.89 167.32 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 N-CA-C 102.191 -3.263 . . . . 0.0 102.191 168.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.684 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.343 0.0 OUTLIER 51.88 161.6 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 130.883 3.673 . . . . 0.0 116.712 169.832 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 26.8 ttp85 -156.15 167.07 31.57 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 120.44 -1.413 . . . . 0.0 110.051 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -147.44 174.03 12.08 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.258 1.823 . . . . 0.0 106.947 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.76 -2.14 3.44 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 116.267 1.951 . . . . 0.0 116.267 -169.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.01 12.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 124.38 1.072 . . . . 0.0 110.57 -170.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.354 1.462 . . . . 0.0 108.867 -168.6 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 112.016 -0.433 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -148.49 144.39 27.33 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.223 1.409 . . . . 0.0 107.844 177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 34.6 ttp -75.95 -74.96 0.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 173.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -169.31 157.69 7.67 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.197 2.599 . . . . 0.0 105.139 169.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 69.5 m -65.58 -43.33 90.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.862 0.69 . . . . 0.0 112.862 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -152.05 -52.25 0.12 Allowed 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 109.263 -0.644 . . . . 0.0 109.263 -170.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -66.05 112.09 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 C-N-CA 124.206 1.002 . . . . 0.0 109.137 -169.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.33 -14.3 33.23 Favored Glycine 0 CA--C 1.526 0.78 0 C-N-CA 124.623 1.106 . . . . 0.0 112.816 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -72.47 134.74 45.48 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 118.643 1.221 . . . . 0.0 109.022 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -75.58 123.66 25.88 Favored 'General case' 0 N--CA 1.461 0.118 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 169.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.5 m -142.12 -176.16 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.397 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 -172.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 3.2 t -122.09 149.1 25.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 105.091 -2.188 . . . . 0.0 105.091 170.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.421 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.39 150.43 35.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 119.495 1.043 . . . . 0.0 109.191 -171.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 81.2 tttt -83.11 133.39 35.06 Favored 'General case' 0 CA--C 1.507 -0.675 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.482 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.9 t-105 -72.85 114.86 11.46 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 106.598 -1.63 . . . . 0.0 106.598 169.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 8.0 m -55.38 -22.24 18.85 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -168.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.0 m -77.37 54.31 1.12 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.391 1.076 . . . . 0.0 111.142 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 39.65 47.85 1.77 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 128.328 2.651 . . . . 0.0 113.748 -171.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -97.3 -174.2 34.23 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-O 122.111 0.839 . . . . 0.0 113.673 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.443 ' CD1' ' HA ' ' A' 1589 ' ' SER . 14.8 m-30 -76.24 -179.93 5.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.373 1.069 . . . . 0.0 109.905 169.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 1.4 m-30 -105.35 117.29 33.63 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 105.739 -1.949 . . . . 0.0 105.739 -177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -114.04 152.12 31.47 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 8.3 m -63.68 144.89 56.65 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.141 0.977 . . . . 0.0 110.53 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -163.52 -173.15 31.87 Favored Glycine 0 C--N 1.331 0.265 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 173.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.47 143.01 50.91 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 106.679 -1.601 . . . . 0.0 106.679 169.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.0 mt -72.81 121.3 23.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -85.75 -37.11 19.69 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 122.31 0.244 . . . . 0.0 110.826 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.12 138.0 2.58 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 124.614 1.166 . . . . 0.0 108.946 -175.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -71.63 106.69 4.15 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 169.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -61.51 -54.89 28.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.65 168.29 11.78 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.552 -1.819 . . . . 0.0 108.552 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.14 0.55 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.853 1.797 . . . . 0.0 115.853 175.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.47 -9.03 35.29 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.366 1.46 . . . . 0.0 111.227 -177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.43 140.18 37.45 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 119.668 1.734 . . . . 0.0 108.359 170.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -129.77 133.69 47.14 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 104.364 -2.458 . . . . 0.0 104.364 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -83.93 142.0 30.86 Favored 'General case' 0 CA--C 1.512 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.71 116.4 19.48 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.109 0.964 . . . . 0.0 108.465 -169.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.8 tp -82.95 94.7 7.79 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 102.939 -2.985 . . . . 0.0 102.939 168.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -58.29 151.77 18.83 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 169.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -66.46 -18.67 65.49 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.965 -0.459 . . . . 0.0 111.442 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -83.35 5.0 24.94 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 125.294 1.438 . . . . 0.0 113.726 172.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.68 -3.92 81.67 Favored Glycine 0 CA--C 1.526 0.755 0 CA-C-O 118.601 -1.11 . . . . 0.0 112.998 169.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.439 ' CG ' HH13 ' B' ' 20' ' ' MLY . 30.9 m-85 -66.05 147.59 53.12 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 119.122 1.461 . . . . 0.0 108.719 169.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -140.32 107.16 5.39 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 68.8 m -145.01 160.02 42.01 Favored 'General case' 0 C--O 1.234 0.253 0 C-N-CA 124.241 1.016 . . . . 0.0 108.848 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.56 144.94 54.39 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 123.381 0.672 . . . . 0.0 109.828 170.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 54.9 t -142.01 140.93 29.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 105.621 -1.992 . . . . 0.0 105.621 171.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -81.54 154.95 25.98 Favored 'General case' 0 C--O 1.226 -0.161 0 O-C-N 121.676 -0.64 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.23 -39.44 50.83 Favored Glycine 0 C--N 1.339 0.72 0 C-N-CA 124.815 1.198 . . . . 0.0 114.156 -170.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -58.02 -42.99 86.43 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.298 1.049 . . . . 0.0 108.986 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -80.5 17.41 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 125.439 1.496 . . . . 0.0 113.669 -172.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.421 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -129.17 133.59 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 178.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 74.4 mt -118.76 113.22 20.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 126.215 1.806 . . . . 0.0 106.323 -170.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.53 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -114.79 0.87 13.96 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.984 1.846 . . . . 0.0 115.984 -169.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 29.9 m -121.92 42.58 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 105.082 -2.192 . . . . 0.0 105.082 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.1 t0 -114.74 47.37 0.44 Allowed Pre-proline 0 C--N 1.346 0.44 0 N-CA-C 119.138 3.014 . . . . 0.0 119.138 -167.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -67.65 123.46 10.79 Favored 'Trans proline' 0 CA--C 1.548 1.216 1 N-CA-C 99.718 -4.762 . . . . 0.0 99.718 165.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -57.66 122.09 53.78 Favored Pre-proline 0 CA--C 1.539 0.548 0 CA-C-N 119.554 1.07 . . . . 0.0 110.152 -167.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -65.05 143.27 78.05 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 121.715 1.61 . . . . 0.0 110.697 176.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -66.51 148.23 52.18 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.8 t70 77.16 -7.36 1.86 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.094 2.558 . . . . 0.0 113.724 -170.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -70.76 135.62 48.33 Favored 'General case' 0 C--O 1.238 0.494 0 O-C-N 121.018 -1.052 . . . . 0.0 108.958 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -74.67 140.66 44.38 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 107.465 -1.309 . . . . 0.0 107.465 172.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.3 m -146.08 156.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 124.832 1.253 . . . . 0.0 109.78 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.5 m -90.17 146.04 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 105.904 -1.887 . . . . 0.0 105.904 169.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.93 139.22 48.64 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 125.738 1.615 . . . . 0.0 107.715 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -125.15 114.62 19.26 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.425 1.09 . . . . 0.0 109.064 -174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 16.1 m -71.89 159.49 34.18 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.33 0.652 . . . . 0.0 111.234 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -66.46 -27.0 67.47 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.21 0.604 . . . . 0.0 110.789 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.1 t0 -83.86 18.25 2.07 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.039 0.936 . . . . 0.0 111.105 173.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.336 4.0 pt-20 48.87 57.37 6.47 Favored 'General case' 0 C--O 1.227 -0.112 0 C-N-CA 129.468 3.107 . . . . 0.0 116.57 175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -108.96 152.2 25.28 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 168.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.52 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -123.23 125.39 45.01 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.633 -1.617 . . . . 0.0 106.633 -170.063 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.4 m -149.29 174.39 12.46 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 124.3 1.04 . . . . 0.0 109.166 176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.21 152.21 50.71 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 118.332 0.514 . . . . 0.0 110.452 172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -164.81 -159.98 11.81 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -172.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -132.41 137.7 53.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 118.812 1.306 . . . . 0.0 109.805 -172.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -62.06 131.14 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 171.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.3 mttt -133.1 12.15 4.25 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.228 0.922 . . . . 0.0 112.053 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.57 -175.16 46.74 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 173.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.98 153.8 43.38 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 126.687 1.995 . . . . 0.0 110.248 -169.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -146.49 159.19 43.73 Favored 'General case' 0 C--O 1.23 0.067 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 170.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 14.9 mmtp -126.61 130.52 50.65 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 169.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -149.93 138.86 21.01 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 50.6 m 49.75 29.17 3.04 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.12 0.968 . . . . 0.0 113.588 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.92 31.69 75.92 Favored Glycine 0 CA--C 1.531 1.076 0 CA-C-O 118.66 -1.078 . . . . 0.0 112.665 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -136.65 164.12 28.96 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 119.479 1.64 . . . . 0.0 108.688 170.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.2 tp -100.09 139.21 36.09 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 123.651 0.78 . . . . 0.0 111.399 -169.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -128.41 156.24 43.47 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.72 1.608 . . . . 0.0 109.112 -178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -136.28 132.14 35.35 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -84.17 103.49 13.42 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.0 mm -88.71 115.34 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -74.47 134.4 42.3 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 169.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -144.44 144.01 31.18 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 169.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 51.54 32.31 8.77 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.162 0.985 . . . . 0.0 112.3 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 66.2 22.69 71.06 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 119.067 -0.852 . . . . 0.0 113.962 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -133.11 147.57 52.13 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 118.395 1.098 . . . . 0.0 108.787 171.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -88.95 139.65 30.24 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -174.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -133.27 129.04 37.09 Favored 'General case' 0 C--N 1.334 -0.082 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.4 m95 -80.04 132.81 36.06 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 118.972 0.805 . . . . 0.0 109.889 179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -133.49 159.74 39.51 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.258 1.423 . . . . 0.0 109.279 171.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.6 pttt -102.55 160.13 14.83 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.442 -175.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -42.6 -55.67 3.43 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 120.083 1.311 . . . . 0.0 113.077 -176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 23.9 ptm -68.19 -20.61 64.86 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 118.695 0.68 . . . . 0.0 112.77 -174.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -83.24 -20.3 34.81 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.002 0.521 . . . . 0.0 111.429 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.8 t -99.39 91.0 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.8 pt -101.08 144.06 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 106.337 -1.727 . . . . 0.0 106.337 -176.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -98.26 117.87 33.62 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 4.6 m -56.35 148.77 18.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 169.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.9 pp -55.45 -35.17 65.18 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -169.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -70.09 -39.64 75.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.309 0.959 . . . . 0.0 110.135 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -63.53 -49.6 72.88 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -60.1 -35.67 88.24 Favored Glycine 0 C--N 1.336 0.555 0 C-N-CA 125.022 1.296 . . . . 0.0 111.936 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -55.93 -42.18 75.72 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 118.209 1.005 . . . . 0.0 110.734 177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -59.73 -27.11 66.2 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.504 0.593 . . . . 0.0 111.612 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.68 -28.44 21.81 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 118.615 0.643 . . . . 0.0 111.395 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -55.93 -39.79 72.18 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 119.585 1.084 . . . . 0.0 112.192 -174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.01 -18.86 61.93 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -113.29 -43.92 3.3 Favored 'General case' 0 C--N 1.344 0.359 0 CA-C-N 119.598 1.09 . . . . 0.0 111.452 179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -99.7 -10.76 21.54 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -169.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.79 135.68 45.92 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.53 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt -64.53 -40.95 96.56 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.568 1.184 . . . . 0.0 110.323 176.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.296 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -170.394 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 112.407 -0.277 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.25 159.63 26.11 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.351 0.66 . . . . 0.0 110.809 175.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.4 tptm -158.68 162.23 37.19 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.817 1.247 . . . . 0.0 108.41 170.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.493 ' NE ' HD12 ' B' ' 22' ' ' LEU . 25.4 ttp180 -37.24 109.77 0.11 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.826 1.65 . . . . 0.0 109.929 179.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.562 ' CD2' HH11 ' B' ' 19' ' ' ARG . 0.0 OUTLIER -94.02 -178.07 4.52 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.365 -1.288 . . . . 0.0 109.648 -169.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.562 HH11 ' CD2' ' B' ' 18' ' ' HIS . 58.2 mtt85 50.43 -131.77 1.92 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.482 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 168.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.48 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -166.94 9.76 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 C-N-CA 126.028 1.731 . . . . 0.0 110.829 -170.472 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.493 HD12 ' NE ' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -157.18 158.04 35.5 Favored 'General case' 0 N--CA 1.451 -0.402 0 O-C-N 120.941 -1.1 . . . . 0.0 108.978 -168.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 22.4 ttt85 -145.96 38.86 1.1 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.272 0.558 . . . . 0.0 109.989 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -144.52 -43.21 0.25 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.033 0.933 . . . . 0.0 112.616 -172.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -85.13 30.23 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.639 0.733 . . . . 0.0 112.602 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.29 8.55 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.296 -168.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.33 1.452 . . . . 0.0 108.524 -169.082 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.84 -0.504 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -149.2 -177.29 5.74 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.916 1.286 . . . . 0.0 108.746 178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.5 mmm -60.32 139.2 57.76 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 123.767 0.827 . . . . 0.0 109.657 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 59.3 t30 -68.86 155.32 40.44 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 122.565 0.346 . . . . 0.0 110.086 171.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.3 m -69.29 107.46 3.28 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 173.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.4 m-85 66.16 -68.14 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.063 2.145 . . . . 0.0 113.844 169.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.5 t -60.87 112.82 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 C-N-CA 125.27 1.428 . . . . 0.0 108.841 -170.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.62 -19.36 19.14 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 125.785 1.66 . . . . 0.0 112.793 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.4 mp -75.11 136.17 41.13 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 118.756 1.278 . . . . 0.0 110.063 -173.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 80.5 mtt85 -76.42 128.69 35.32 Favored 'General case' 0 C--N 1.341 0.203 0 N-CA-C 106.028 -1.841 . . . . 0.0 106.028 169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 29.6 m -148.22 174.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.4 t -110.38 151.49 12.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 169.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.62 151.04 33.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 120.581 -1.324 . . . . 0.0 108.571 -174.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 80.5 tttt -83.74 135.64 34.47 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.958 -1.497 . . . . 0.0 106.958 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -72.38 112.4 8.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 13.8 m -56.85 -18.56 13.46 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -169.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 14.8 m -77.07 48.9 0.63 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 119.929 1.241 . . . . 0.0 111.067 175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.7 t30 38.32 50.9 1.52 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 128.413 2.685 . . . . 0.0 113.816 -171.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -107.64 -162.69 21.45 Favored Glycine 0 C--N 1.337 0.607 0 C-N-CA 123.541 0.591 . . . . 0.0 112.131 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -82.65 -173.13 4.45 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 124.49 1.116 . . . . 0.0 110.76 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -111.06 125.42 53.74 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 -174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -127.56 151.32 49.05 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 125.147 1.379 . . . . 0.0 108.656 -170.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.1 m -68.08 145.61 54.26 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 122.982 0.513 . . . . 0.0 110.895 177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.97 177.79 40.33 Favored Glycine 0 C--N 1.332 0.334 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 171.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.94 137.94 51.01 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 106.156 -1.794 . . . . 0.0 106.156 172.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.1 mt -70.68 115.38 10.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 106.054 -1.832 . . . . 0.0 106.054 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.474 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -83.16 -39.33 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 122.473 0.309 . . . . 0.0 110.21 -174.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -167.24 136.63 2.79 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 124.598 1.159 . . . . 0.0 109.191 -175.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.37 106.54 2.97 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.642 -1.614 . . . . 0.0 106.642 169.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.33 -53.8 42.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 -174.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 142.83 167.42 11.48 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 108.785 -1.726 . . . . 0.0 108.785 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.8 9.52 0.61 Allowed 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 174.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.41 -10.15 28.53 Favored Glycine 0 C--N 1.337 0.605 0 C-N-CA 125.141 1.353 . . . . 0.0 110.916 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -79.73 139.58 37.27 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 119.68 1.74 . . . . 0.0 108.65 170.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -130.12 132.0 45.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 104.117 -2.549 . . . . 0.0 104.117 169.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -84.78 144.82 28.22 Favored 'General case' 0 CA--C 1.512 -0.49 0 O-C-N 121.107 -0.996 . . . . 0.0 108.598 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.85 116.91 20.17 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -169.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.474 ' H ' HG23 ' A' 1507 ' ' THR . 23.5 tp -84.58 95.63 8.92 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 101.278 -3.601 . . . . 0.0 101.278 168.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -60.2 147.77 38.75 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 172.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.05 -18.81 65.62 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-O 122.22 1.009 . . . . 0.0 109.728 169.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.98 -21.44 8.1 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 128.156 2.582 . . . . 0.0 110.722 169.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 92.16 -14.45 64.48 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 126.176 1.846 . . . . 0.0 111.093 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -72.01 156.04 39.67 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.379 1.072 . . . . 0.0 110.468 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -140.23 121.03 14.43 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.8 m -151.36 165.08 35.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 124.779 1.232 . . . . 0.0 108.63 171.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -69.28 146.87 51.9 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 124.286 1.034 . . . . 0.0 109.351 168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 71.9 t -140.83 141.64 31.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 106.031 -1.84 . . . . 0.0 106.031 172.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 tp -80.88 153.28 27.7 Favored 'General case' 0 C--O 1.225 -0.225 0 O-C-N 121.731 -0.606 . . . . 0.0 110.876 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.67 -40.49 55.91 Favored Glycine 0 C--N 1.336 0.542 0 C-N-CA 124.692 1.139 . . . . 0.0 113.23 -169.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.93 -41.92 83.76 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.525 -0.985 . . . . 0.0 109.144 -177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.08 18.2 2.19 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 125.743 1.617 . . . . 0.0 113.486 -171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.475 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.92 127.8 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 105.483 -2.043 . . . . 0.0 105.483 176.195 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 63.6 mt -112.12 107.46 16.39 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 127.798 2.439 . . . . 0.0 105.789 -169.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.539 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.44 1.25 19.77 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -169.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 18.9 m -125.24 43.68 2.99 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 43.7 t0 -116.46 52.53 1.01 Allowed Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 119.154 3.02 . . . . 0.0 119.154 -167.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.5 12.23 Favored 'Trans proline' 0 CA--C 1.545 1.039 1 N-CA-C 101.137 -4.217 . . . . 0.0 101.137 165.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -58.76 120.12 43.08 Favored Pre-proline 0 CA--C 1.543 0.708 0 CA-C-N 119.617 1.099 . . . . 0.0 109.982 -168.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -67.51 142.37 58.97 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 121.754 1.636 . . . . 0.0 110.277 177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.464 ' H ' HD12 ' A' 1540 ' ' LEU . 4.9 mp -66.31 144.66 56.44 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.575 -1.268 . . . . 0.0 107.575 -177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.3 t70 83.2 -9.67 1.05 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 128.095 2.558 . . . . 0.0 113.408 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 23.9 m -68.73 135.69 51.69 Favored 'General case' 0 C--O 1.236 0.382 0 O-C-N 121.025 -1.047 . . . . 0.0 108.715 173.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.28 138.75 45.69 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 170.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.3 m -146.38 157.79 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 124.178 0.991 . . . . 0.0 108.637 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.3 m -90.95 149.11 22.01 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 169.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.2 134.8 47.54 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.717 1.607 . . . . 0.0 107.319 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.577 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.4 mm? -119.21 118.6 31.76 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.053 0.941 . . . . 0.0 109.002 177.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.7 m -64.56 166.12 9.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.033 0.933 . . . . 0.0 111.44 172.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -62.44 -35.11 78.26 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.888 0.475 . . . . 0.0 109.918 176.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 46.9 t0 -87.79 35.87 0.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.393 1.092 . . . . 0.0 110.181 171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.27 3.24 0.06 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 127.843 2.457 . . . . 0.0 117.39 170.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -60.62 131.13 49.76 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 121.381 1.9 . . . . 0.0 109.325 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.593 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.23 130.33 55.49 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 126.317 1.847 . . . . 0.0 106.577 -170.522 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 17.6 m -150.06 172.67 14.88 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 123.919 0.888 . . . . 0.0 108.827 172.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.92 154.32 41.31 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 118.514 0.597 . . . . 0.0 110.143 169.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.14 -160.84 19.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 107.656 -2.177 . . . . 0.0 107.656 -172.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.1 t -133.13 139.84 48.49 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 118.465 1.132 . . . . 0.0 110.253 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 62.8 t -63.86 130.61 28.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 171.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.5 mttt -133.93 13.61 3.97 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.045 0.839 . . . . 0.0 111.956 169.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.95 -175.14 47.13 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 118.724 0.693 . . . . 0.0 111.486 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.89 154.39 44.07 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 126.417 1.887 . . . . 0.0 109.916 -169.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -148.24 158.01 43.83 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -125.94 125.98 43.63 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 170.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.43 140.59 22.15 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 -175.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 27.8 m 51.39 27.72 3.9 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.406 1.082 . . . . 0.0 113.265 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.38 31.48 77.04 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-O 119.379 -0.678 . . . . 0.0 112.073 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -138.5 154.31 48.79 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 125.676 1.59 . . . . 0.0 107.322 -175.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 28.6 tp -98.49 135.71 39.65 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 124.325 1.05 . . . . 0.0 111.203 -169.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -129.51 156.12 44.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.381 1.472 . . . . 0.0 109.536 -175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -134.08 134.43 42.3 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.59 104.79 15.66 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 105.671 -1.974 . . . . 0.0 105.671 170.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.9 mm -87.3 111.08 21.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.21 131.46 42.02 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 106.819 -1.549 . . . . 0.0 106.819 169.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -144.38 138.48 27.81 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 52.08 32.98 11.19 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.17 0.988 . . . . 0.0 111.917 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.3 18.55 79.84 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-O 118.78 -1.011 . . . . 0.0 113.637 175.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.49 148.62 46.18 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 118.986 1.393 . . . . 0.0 109.505 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -88.26 141.52 28.48 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -174.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -136.55 129.65 31.23 Favored 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.67 131.48 35.98 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.617 0.644 . . . . 0.0 109.93 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -133.65 160.14 38.41 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 124.554 1.142 . . . . 0.0 109.205 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -100.08 157.23 16.71 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-O 118.401 -0.809 . . . . 0.0 109.603 -175.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -47.43 -45.99 26.16 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.791 1.178 . . . . 0.0 113.173 -171.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.9 ppp? -77.22 -18.66 57.54 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 118.898 0.772 . . . . 0.0 112.139 -174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.56 -24.54 42.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.785 169.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 80.2 t -93.14 88.76 2.58 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -97.65 145.52 9.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 N-CA-C 106.368 -1.716 . . . . 0.0 106.368 -174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.8 mt -96.06 114.25 25.94 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 -175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.89 145.89 15.28 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 173.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -56.88 -36.23 69.87 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -168.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -63.81 -34.1 77.15 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.357 0.98 . . . . 0.0 110.178 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -80.65 -47.11 14.54 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -51.51 -38.71 43.49 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.666 0.651 . . . . 0.0 111.685 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -55.71 -46.14 77.75 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.667 0.733 . . . . 0.0 111.495 177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -63.33 -26.36 68.73 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 122.958 0.503 . . . . 0.0 111.264 -177.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -83.75 -29.96 27.03 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.434 0.561 . . . . 0.0 111.082 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -55.6 -38.13 69.02 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 123.957 0.903 . . . . 0.0 112.253 -173.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -64.43 -17.95 64.27 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -112.76 -44.03 3.37 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-N 119.796 1.18 . . . . 0.0 111.028 179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -99.89 -13.27 19.23 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 124.288 1.035 . . . . 0.0 113.34 -169.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.22 133.32 33.54 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 109.688 -1.365 . . . . 0.0 109.688 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.539 HD22 HD23 ' A' 1534 ' ' LEU . 4.7 mt -63.26 -38.93 93.1 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 118.476 1.138 . . . . 0.0 110.822 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.474 -1.181 . . . . 0.0 110.253 -171.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.841 0 CA-C-O 119.948 -0.362 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -134.06 34.94 3.31 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.514 1.125 . . . . 0.0 111.471 -170.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -78.73 161.43 26.87 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.736 -1.228 . . . . 0.0 110.229 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -28.17 123.41 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 128.032 2.533 . . . . 0.0 112.092 177.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.593 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.88 -28.03 9.86 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.469 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.7 mtt85 -138.21 58.0 1.69 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.642 1.577 . . . . 0.0 109.09 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 130.976 3.71 . . . . 0.0 119.645 169.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.715 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.9 OUTLIER -48.42 163.8 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.434 0.693 . . . . 0.0 110.673 -178.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.715 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.307 0.0 OUTLIER 49.15 -172.36 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 127.109 2.163 . . . . 0.0 114.085 179.272 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -145.67 158.54 43.84 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 120.144 -1.597 . . . . 0.0 110.204 171.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -153.58 -17.03 0.14 Allowed 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -92.48 40.97 1.06 Allowed 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 122.735 1.255 . . . . 0.0 110.762 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -93.59 5.48 7.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 CA-C-N 113.91 -1.495 . . . . 0.0 113.211 -167.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 . . . . . 0 C--O 1.251 1.145 0 C-N-CA 125.123 1.369 . . . . 0.0 108.615 -169.265 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -149.14 167.48 25.81 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 124.471 1.108 . . . . 0.0 109.119 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 16.3 mmt -61.82 154.17 26.66 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.325 1.05 . . . . 0.0 110.604 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 47.6 t30 -144.48 67.1 1.26 Allowed 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.419 1.087 . . . . 0.0 109.387 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 66.1 m 70.46 -57.61 0.57 Allowed 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.631 2.372 . . . . 0.0 114.561 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -141.33 -51.46 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 125.379 1.472 . . . . 0.0 107.268 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 2.2 t -56.5 118.8 1.85 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 C-N-CA 124.024 0.93 . . . . 0.0 109.194 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 101.73 -16.1 56.47 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.018 1.294 . . . . 0.0 113.609 176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 10.2 mp -70.72 136.63 49.09 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.464 1.632 . . . . 0.0 109.794 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -79.75 126.82 31.44 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 104.634 -2.358 . . . . 0.0 104.634 168.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 21.4 m -143.58 -177.71 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 -172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.83 148.9 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 105.411 -2.07 . . . . 0.0 105.411 169.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.77 146.89 32.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.6 tttt -83.81 137.12 33.86 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.751 -1.944 . . . . 0.0 105.751 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.48 ' CE3' HH12 ' B' ' 20' ' ' MLY . 57.8 t-105 -74.58 112.12 10.45 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.121 169.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.6 m -57.21 -16.99 9.48 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.193 1.797 . . . . 0.0 115.719 -169.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.1 m -74.24 45.11 0.21 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.227 1.411 . . . . 0.0 111.506 173.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 38.11 50.56 1.39 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 128.354 2.662 . . . . 0.0 113.357 -170.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -106.77 -163.25 22.32 Favored Glycine 0 C--N 1.337 0.616 0 C-N-CA 123.756 0.693 . . . . 0.0 112.441 -177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -80.83 -173.87 4.46 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.159 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -108.72 125.59 52.08 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 -176.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.416 ' HE2' HG22 ' B' ' 21' ' ' VAL . 54.9 m-85 -127.25 149.98 49.76 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.3 1.04 . . . . 0.0 108.584 -172.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.7 m -66.44 144.16 56.68 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 123.651 0.78 . . . . 0.0 110.471 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.82 169.26 41.19 Favored Glycine 0 C--N 1.334 0.446 0 O-C-N 121.448 -0.783 . . . . 0.0 112.338 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 8.1 mtmt -112.26 131.95 55.21 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 25.1 mt -70.8 114.84 9.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.0 p -81.56 -37.14 28.2 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 122.314 0.246 . . . . 0.0 110.814 -175.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.69 139.58 2.02 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 124.441 1.096 . . . . 0.0 109.929 -175.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -71.54 105.71 3.72 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 169.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.29 -54.35 36.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 145.51 164.74 10.92 Favored Glycine 0 C--N 1.335 0.494 0 N-CA-C 108.522 -1.831 . . . . 0.0 108.522 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.93 10.22 0.55 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.871 1.668 . . . . 0.0 115.333 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.42 -10.91 30.86 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 125.758 1.647 . . . . 0.0 110.669 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -75.37 141.53 43.28 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 120.115 1.958 . . . . 0.0 108.849 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -128.84 134.15 48.23 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 169.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -84.55 144.06 28.91 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 176.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -129.82 118.44 21.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.985 0.914 . . . . 0.0 108.776 -169.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.0 tp -83.38 89.74 7.07 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 102.754 -3.054 . . . . 0.0 102.754 168.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -53.19 149.99 6.48 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -63.67 -18.15 63.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 122.091 0.948 . . . . 0.0 110.816 173.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.87 -18.67 13.99 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 128.96 2.904 . . . . 0.0 111.0 170.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 85.54 -9.67 67.07 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.684 1.612 . . . . 0.0 112.602 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -67.25 152.97 44.77 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.243 1.017 . . . . 0.0 110.121 172.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -142.91 108.43 5.07 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 124.668 1.187 . . . . 0.0 107.965 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 55.8 m -144.0 159.03 43.29 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.875 0.87 . . . . 0.0 109.2 178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -68.48 145.69 53.83 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 123.577 0.751 . . . . 0.0 109.853 169.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 58.2 t -139.13 139.99 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 105.084 -2.191 . . . . 0.0 105.084 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.83 151.26 37.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.449 -0.782 . . . . 0.0 110.178 178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -55.17 -39.07 69.16 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.553 1.073 . . . . 0.0 113.441 -171.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -24.92 65.68 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.464 -1.021 . . . . 0.0 112.009 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -97.33 15.65 22.32 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.694 1.598 . . . . 0.0 112.269 -173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.96 131.05 71.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 -179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.55 114.8 23.98 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 104.417 -2.438 . . . . 0.0 104.417 -169.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.502 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.55 1.13 16.7 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 116.615 2.08 . . . . 0.0 116.615 -168.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 19.6 t -132.28 51.05 2.18 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 177.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 41.3 t0 -120.33 55.06 3.76 Favored Pre-proline 0 CA--C 1.537 0.46 0 N-CA-C 117.069 2.248 . . . . 0.0 117.069 -168.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -67.91 126.71 14.96 Favored 'Trans proline' 0 CA--C 1.544 1.017 0 N-CA-C 102.408 -3.728 . . . . 0.0 102.408 166.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.68 119.88 40.66 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 119.35 0.977 . . . . 0.0 109.846 -168.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -67.49 142.3 58.82 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.697 1.598 . . . . 0.0 109.896 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.453 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -66.16 143.26 57.38 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.4 t70 85.57 -9.92 0.77 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 128.666 2.787 . . . . 0.0 112.755 -172.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.0 m -68.43 136.02 52.62 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 120.966 -1.084 . . . . 0.0 108.811 172.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -74.06 141.28 45.73 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.5 m -148.4 157.15 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 C-N-CA 124.421 1.088 . . . . 0.0 108.527 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.5 m -90.85 149.79 21.81 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 168.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.16 142.39 50.89 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 125.666 1.586 . . . . 0.0 106.815 -177.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -126.61 131.0 51.58 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-O 121.396 0.617 . . . . 0.0 110.404 172.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.1 m -68.81 166.14 18.23 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 123.886 0.874 . . . . 0.0 110.094 172.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -67.18 -28.29 67.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.926 -0.484 . . . . 0.0 110.092 177.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.3 t0 -88.01 23.93 1.95 Allowed 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 122.766 1.27 . . . . 0.0 110.708 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . 0.426 ' HB3' ' HB2' ' B' ' 17' ' ' ARG . 4.3 mt-10 67.52 -4.06 0.98 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 127.913 2.485 . . . . 0.0 116.438 169.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -54.78 132.57 46.32 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 120.866 1.666 . . . . 0.0 109.647 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -108.52 137.61 46.18 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.697 1.599 . . . . 0.0 107.914 -169.458 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.6 m -150.84 174.33 13.21 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.594 0.757 . . . . 0.0 109.232 170.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.48 152.95 47.67 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.886 0.766 . . . . 0.0 110.192 169.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -171.5 -161.7 22.55 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 108.139 -1.984 . . . . 0.0 108.139 -170.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -132.55 138.91 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 118.383 1.092 . . . . 0.0 110.0 -172.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.2 t -63.17 128.75 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.2 mttt -132.18 13.75 4.67 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.045 0.839 . . . . 0.0 111.885 169.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.96 -174.8 46.86 Favored Glycine 0 C--N 1.337 0.586 0 CA-C-N 118.653 0.66 . . . . 0.0 111.51 171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.7 m80 -142.32 153.05 43.55 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 126.208 1.803 . . . . 0.0 109.995 -169.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -146.95 159.71 43.22 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 172.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.4 mmtp -126.59 125.49 42.05 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 105.592 -2.003 . . . . 0.0 105.592 169.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -150.19 141.04 22.79 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 -175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.1 m 50.94 28.14 3.61 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.239 1.016 . . . . 0.0 112.987 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.93 31.92 82.51 Favored Glycine 0 CA--C 1.533 1.184 0 CA-C-O 119.434 -0.648 . . . . 0.0 112.289 -176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -137.88 155.04 49.36 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.58 1.552 . . . . 0.0 107.176 -175.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 23.1 tp -93.84 137.19 33.34 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.612 0.765 . . . . 0.0 110.325 -169.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.92 154.63 46.35 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.28 1.432 . . . . 0.0 109.085 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -132.2 132.71 43.4 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 178.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -82.67 104.37 12.88 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 105.789 -1.93 . . . . 0.0 105.789 169.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.4 mm -86.58 108.4 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 104.945 -2.243 . . . . 0.0 104.945 177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.99 132.15 45.49 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.314 -1.735 . . . . 0.0 106.314 169.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -143.89 135.37 25.96 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 51.67 33.69 11.38 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.534 1.134 . . . . 0.0 112.619 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 83.19 14.27 74.94 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 118.634 -1.092 . . . . 0.0 113.241 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.5 147.62 39.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 119.049 1.425 . . . . 0.0 110.018 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -82.6 142.97 31.34 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -137.23 129.76 29.95 Favored 'General case' 0 N--CA 1.462 0.156 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.9 m95 -80.13 132.12 35.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.73 0.695 . . . . 0.0 109.68 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -134.28 159.33 41.31 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 124.668 1.187 . . . . 0.0 109.198 170.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 43.3 pttt -100.98 158.67 15.82 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.094 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.0 ptp85 -45.36 -48.84 13.35 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 120.095 1.316 . . . . 0.0 113.172 -172.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -74.83 -20.18 59.87 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 119.561 -0.856 . . . . 0.0 113.297 -174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -79.42 -25.77 41.97 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.613 0.765 . . . . 0.0 110.947 171.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 73.6 t -90.31 89.36 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.8 pt -98.54 144.79 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 105.842 -1.911 . . . . 0.0 105.842 -175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.4 mt -96.48 114.25 25.9 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.12 143.13 18.51 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 173.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.257 2.0 pp -55.29 -34.02 63.76 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 116.809 2.152 . . . . 0.0 116.809 -167.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -70.89 -33.76 70.9 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 120.878 1.672 . . . . 0.0 110.139 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -72.0 -46.96 55.27 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 123.657 0.783 . . . . 0.0 109.152 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.13 -41.29 60.57 Favored Glycine 0 C--N 1.341 0.835 0 C-N-CA 123.891 0.758 . . . . 0.0 111.404 170.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -60.79 -48.16 83.06 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.825 -0.809 . . . . 0.0 111.379 -178.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.15 -12.12 11.41 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.76 -29.14 10.24 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 124.966 1.306 . . . . 0.0 108.863 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -57.36 -40.24 77.67 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.901 1.681 . . . . 0.0 110.426 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -57.81 -20.71 37.72 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -112.57 -41.69 3.79 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.533 1.061 . . . . 0.0 111.804 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -97.85 -15.7 20.11 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 113.977 1.103 . . . . 0.0 113.977 -168.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -47.21 130.74 14.02 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.355 1.455 . . . . 0.0 110.864 173.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.502 HD22 HD23 ' A' 1534 ' ' LEU . 1.2 mt -64.45 -44.43 91.13 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 118.43 1.115 . . . . 0.0 109.53 176.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 N-CA-C 109.071 -1.611 . . . . 0.0 109.071 -176.658 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.288 -0.325 . . . . 0.0 112.288 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.66 48.98 0.84 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.456 1.503 . . . . 0.0 112.913 -171.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -66.32 158.97 27.74 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 120.275 -1.516 . . . . 0.0 110.373 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.426 ' HB2' ' HB3' ' A' 1551 ' ' GLU . 57.2 ttp85 -30.06 125.79 0.15 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 126.945 2.098 . . . . 0.0 112.012 173.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.7 OUTLIER -103.88 -17.81 14.88 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.704 1.201 . . . . 0.0 113.867 -168.784 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -142.93 168.86 18.71 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.781 2.032 . . . . 0.0 107.066 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.48 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.327 -0.407 0 N-CA-C 105.211 -2.144 . . . . 0.0 105.211 168.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.644 ' HB ' HD13 ' B' ' 22' ' ' LEU . 18.2 t -133.45 -117.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 101.491 -3.522 . . . . 0.0 101.491 169.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.644 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -41.82 159.95 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.736 1.614 . . . . 0.0 113.613 169.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -89.82 -43.52 10.59 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.667 -0.645 . . . . 0.0 110.523 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -150.37 162.69 40.06 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.781 0.719 . . . . 0.0 109.738 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -83.14 56.28 3.45 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.486 1.114 . . . . 0.0 113.052 -169.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.68 6.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 124.765 1.226 . . . . 0.0 110.152 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.999 1.72 . . . . 0.0 110.224 -168.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.7 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -66.19 153.57 42.1 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 117.55 0.675 . . . . 0.0 110.254 176.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 44.3 mtt -147.91 166.95 26.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.202 1.401 . . . . 0.0 109.797 -178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 37.6 t30 -130.4 152.55 49.68 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 126.268 1.827 . . . . 0.0 107.261 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.6 m -58.33 97.93 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.925 1.29 . . . . 0.0 111.371 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 74.8 m-85 62.73 -63.03 0.11 Allowed 'General case' 0 CA--C 1.52 -0.202 0 C-N-CA 128.501 2.72 . . . . 0.0 113.757 176.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.9 t -63.52 120.23 9.67 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 118.972 0.805 . . . . 0.0 108.953 -172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 107.37 -24.94 23.16 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 126.201 1.858 . . . . 0.0 112.891 -178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 60.6 mt -68.28 136.79 54.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 119.297 1.549 . . . . 0.0 112.263 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.92 125.75 30.13 Favored 'General case' 0 N--CA 1.461 0.112 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 168.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.7 m -143.65 -179.0 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -173.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.8 t -117.89 142.7 31.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 104.691 -2.337 . . . . 0.0 104.691 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.467 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -144.72 150.66 37.66 Favored 'General case' 0 CA--C 1.511 -0.54 0 O-C-N 121.131 -0.98 . . . . 0.0 108.645 -169.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 74.4 tttt -82.83 137.25 34.37 Favored 'General case' 0 CA--C 1.505 -0.779 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.502 ' CE3' HH12 ' B' ' 20' ' ' MLY . 40.2 t-105 -68.74 105.24 2.24 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 169.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 2.6 p -61.07 -20.31 62.44 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 127.095 2.158 . . . . 0.0 115.203 -169.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.4 m -60.83 -20.48 61.74 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.051 0.841 . . . . 0.0 112.143 171.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 64.9 t30 116.86 66.06 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 130.73 3.612 . . . . 0.0 110.428 169.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -131.11 -155.25 8.12 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -79.56 -176.59 5.39 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 124.38 1.072 . . . . 0.0 112.294 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.412 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 90.7 m-85 -93.86 129.54 40.23 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 108.581 -0.896 . . . . 0.0 108.581 172.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.481 ' CD2' HG13 ' B' ' 21' ' ' VAL . 68.3 m-85 -127.96 153.47 46.67 Favored 'General case' 0 C--O 1.233 0.202 0 C-N-CA 125.318 1.447 . . . . 0.0 108.698 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 6.2 m -65.07 143.29 58.02 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 122.758 0.423 . . . . 0.0 110.793 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 169.07 39.85 Favored Glycine 0 N--CA 1.45 -0.381 0 N-CA-C 111.916 -0.474 . . . . 0.0 111.916 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -107.09 130.63 54.65 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 42.8 mt -69.58 117.45 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 41.3 p -84.11 -33.93 24.22 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -172.32 141.66 1.25 Allowed 'General case' 0 C--N 1.346 0.437 0 C-N-CA 123.212 0.605 . . . . 0.0 111.176 -169.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.12 112.51 9.23 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 103.133 -2.914 . . . . 0.0 103.133 167.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.94 -53.61 39.54 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.83 163.68 10.83 Favored Glycine 0 C--N 1.338 0.671 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.03 10.38 0.59 Allowed 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 175.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.65 -8.92 34.75 Favored Glycine 0 CA--C 1.523 0.571 0 C-N-CA 125.401 1.477 . . . . 0.0 110.869 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.99 139.4 42.9 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 119.847 1.823 . . . . 0.0 108.073 170.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -127.79 132.65 49.48 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 105.018 -2.216 . . . . 0.0 105.018 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -83.24 146.11 28.76 Favored 'General case' 0 CA--C 1.514 -0.427 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -130.31 118.69 21.67 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -169.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 43.6 tp -84.86 90.68 7.83 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 167.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -56.44 153.71 9.51 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.083 -0.962 . . . . 0.0 108.606 173.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.11 -19.63 63.23 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.177 -0.952 . . . . 0.0 111.63 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -71.64 -4.6 28.18 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.41 1.084 . . . . 0.0 113.042 169.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 88.11 -5.68 84.5 Favored Glycine 0 CA--C 1.531 1.044 0 CA-C-O 118.505 -1.164 . . . . 0.0 113.094 178.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -65.37 155.36 35.61 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.305 1.552 . . . . 0.0 109.441 169.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -144.0 117.82 9.33 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 64.7 m -148.34 163.92 35.62 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 124.867 1.267 . . . . 0.0 108.636 172.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -69.83 147.07 50.83 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.998 0.919 . . . . 0.0 109.424 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 87.4 t -139.48 136.81 40.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 171.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 mt -73.42 153.87 40.24 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.258 -0.901 . . . . 0.0 109.95 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.26 -38.14 56.31 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 124.492 1.044 . . . . 0.0 113.391 -176.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -33.22 69.95 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 122.032 -0.687 . . . . 0.0 110.369 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -92.11 12.67 21.32 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.264 1.426 . . . . 0.0 112.747 -171.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.467 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.0 OUTLIER -124.73 139.18 51.69 Favored 'Isoleucine or valine' 0 C--N 1.341 0.222 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -179.823 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.0 mt -124.63 110.06 13.94 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 128.317 2.647 . . . . 0.0 105.72 -169.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.564 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -112.4 -0.7 15.26 Favored 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.256 1.947 . . . . 0.0 116.256 -169.337 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 30.6 m -123.67 43.55 2.94 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 105.765 -1.939 . . . . 0.0 105.765 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -115.44 51.33 0.73 Allowed Pre-proline 0 CA--C 1.543 0.705 0 N-CA-C 118.359 2.725 . . . . 0.0 118.359 -167.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -68.64 127.78 16.04 Favored 'Trans proline' 0 CA--C 1.547 1.141 0 N-CA-C 102.047 -3.866 . . . . 0.0 102.047 166.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.52 121.19 55.11 Favored Pre-proline 0 CA--C 1.542 0.641 0 CA-C-N 119.209 0.913 . . . . 0.0 109.832 -168.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -65.78 143.2 72.94 Favored 'Trans proline' 0 N--CA 1.45 -1.079 0 C-N-CA 121.767 1.645 . . . . 0.0 110.337 173.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.477 ' H ' HD12 ' A' 1540 ' ' LEU . 5.4 mp -64.92 149.23 50.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.77 -1.105 . . . . 0.0 108.416 178.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 21.0 t70 75.91 -7.67 1.76 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.251 2.22 . . . . 0.0 113.473 -171.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.4 m -67.01 136.59 55.53 Favored 'General case' 0 C--O 1.237 0.429 0 O-C-N 120.874 -1.141 . . . . 0.0 108.282 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -82.69 137.97 34.26 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 107.011 -1.478 . . . . 0.0 107.011 173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -147.63 157.68 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 124.555 1.142 . . . . 0.0 108.882 -173.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 44.0 m -91.52 152.48 20.31 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -135.74 134.62 39.24 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 125.768 1.627 . . . . 0.0 107.698 -175.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.481 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.1 mm? -120.65 118.41 30.06 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 29.4 m -64.86 165.47 10.64 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.629 0.772 . . . . 0.0 111.153 173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -61.91 -34.11 75.47 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 122.043 -0.411 . . . . 0.0 110.124 175.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 42.3 t0 -86.4 27.86 0.9 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 110.986 173.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.257 11.6 pt-20 50.86 23.5 1.46 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 128.61 2.764 . . . . 0.0 116.125 171.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -72.93 136.96 45.29 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 168.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -106.86 134.8 49.46 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.218 1.807 . . . . 0.0 107.125 -174.711 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.2 m -150.23 175.18 12.02 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.433 1.093 . . . . 0.0 108.993 172.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -132.23 151.98 51.55 Favored 'General case' 0 C--O 1.23 0.071 0 CA-C-N 118.608 0.64 . . . . 0.0 110.211 171.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.76 -159.55 13.58 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 108.427 -1.869 . . . . 0.0 108.427 -173.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.3 t -133.64 140.11 47.35 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.378 0 CA-C-N 118.726 1.263 . . . . 0.0 109.454 -172.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 68.7 t -63.67 130.41 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 173.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -131.63 10.05 4.71 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 118.831 0.742 . . . . 0.0 111.993 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.21 -174.41 46.37 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 172.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.4 m80 -142.17 153.71 44.27 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 126.927 2.091 . . . . 0.0 109.335 -170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.1 ttt180 -147.04 157.15 43.52 Favored 'General case' 0 CA--C 1.522 -0.126 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 170.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -124.38 126.24 45.65 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 105.418 -2.067 . . . . 0.0 105.418 169.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -150.32 139.36 21.06 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 20.2 m 51.24 29.95 5.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.202 1.001 . . . . 0.0 113.023 -176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.82 30.89 78.15 Favored Glycine 0 CA--C 1.534 1.259 0 CA-C-O 119.531 -0.594 . . . . 0.0 112.347 -177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -138.59 154.51 48.7 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 125.603 1.561 . . . . 0.0 107.643 -175.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 25.2 tp -97.01 136.81 37.04 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 124.158 0.983 . . . . 0.0 111.557 -169.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -130.29 156.81 44.04 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.653 1.581 . . . . 0.0 109.403 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -134.42 135.1 42.34 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.56 104.76 14.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 169.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -87.56 110.79 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -69.64 131.92 45.38 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 169.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 27.8 ttpt -144.04 141.04 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 173.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 50.32 32.82 6.65 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.997 0.919 . . . . 0.0 112.999 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.97 19.87 78.57 Favored Glycine 0 CA--C 1.532 1.124 0 CA-C-O 119.0 -0.889 . . . . 0.0 113.824 176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -138.47 150.19 46.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 118.376 1.088 . . . . 0.0 109.33 175.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -81.08 143.42 32.46 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 121.705 -0.622 . . . . 0.0 109.429 -175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -134.96 128.0 31.62 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 106.197 -1.779 . . . . 0.0 106.197 172.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.8 m95 -80.19 132.87 35.96 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 119.111 0.869 . . . . 0.0 109.808 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.99 157.43 46.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.785 1.234 . . . . 0.0 109.232 171.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -95.25 158.52 15.42 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 118.266 -0.873 . . . . 0.0 109.746 -177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -47.75 -46.2 29.77 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.974 1.261 . . . . 0.0 113.413 -174.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.4 ppp? -74.36 -17.87 60.76 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 118.745 0.702 . . . . 0.0 112.727 -175.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.17 -23.32 28.41 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.438 1.095 . . . . 0.0 110.922 172.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 65.8 t -91.01 89.97 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.1 pt -98.46 142.08 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 -173.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.63 114.04 25.91 Favored 'General case' 0 CA--C 1.506 -0.721 0 N-CA-C 105.882 -1.895 . . . . 0.0 105.882 -173.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.3 147.71 9.84 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 174.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.263 2.5 pp -58.24 -32.0 67.93 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -168.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -71.77 -35.53 70.08 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.137 1.335 . . . . 0.0 110.305 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -63.84 -51.17 65.9 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 123.886 0.875 . . . . 0.0 109.018 178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . 0.412 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -59.01 -35.52 84.13 Favored Glycine 0 C--N 1.342 0.894 0 C-N-CA 123.81 0.719 . . . . 0.0 111.803 177.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.6 -49.18 78.56 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.967 -0.725 . . . . 0.0 110.48 178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.8 mtt-85 -61.8 -4.53 1.55 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.568 0.747 . . . . 0.0 112.929 178.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 14.2 mt -113.3 -26.93 8.15 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.126 1.37 . . . . 0.0 108.774 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 65.4 ttp85 -55.09 -38.61 68.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.422 1.489 . . . . 0.0 111.135 173.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -57.69 -22.18 44.7 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 118.358 -0.829 . . . . 0.0 113.089 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -113.68 -40.51 3.79 Favored 'General case' 0 C--N 1.345 0.386 0 CA-C-N 119.621 1.1 . . . . 0.0 112.288 176.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.6 m-30 -101.19 -9.85 20.93 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -168.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.27 130.95 50.31 Favored Glycine 0 CA--C 1.531 1.04 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.564 HD22 HD23 ' A' 1534 ' ' LEU . 2.9 mt -65.26 -41.49 94.21 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 118.475 1.138 . . . . 0.0 109.801 177.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.162 0 N-CA-C 109.275 -1.53 . . . . 0.0 109.275 -172.291 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 CA-C-O 120.942 0.19 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.12 13.73 1.27 Allowed 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.319 2.247 . . . . 0.0 116.195 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -86.1 158.06 19.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.299 -1.501 . . . . 0.0 111.294 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 16.6 ttp85 -24.58 99.26 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 129.635 3.174 . . . . 0.0 111.118 173.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.624 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 1.0 OUTLIER -84.23 -26.91 28.34 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 125.427 1.491 . . . . 0.0 113.501 -168.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.56 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.7 mtt85 -139.07 137.88 36.61 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 129.994 3.318 . . . . 0.0 102.234 177.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.502 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.236 1.017 . . . . 0.0 110.27 -171.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.536 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -155.75 178.85 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 130.65 3.58 . . . . 0.0 103.881 169.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.536 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.338 0.0 OUTLIER 43.43 -179.18 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 129.453 3.101 . . . . 0.0 114.573 179.609 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 -154.19 -66.64 0.14 Allowed 'General case' 0 N--CA 1.467 0.398 0 O-C-N 119.944 -1.723 . . . . 0.0 110.677 171.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -158.62 159.86 35.89 Favored 'General case' 0 C--O 1.236 0.367 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -138.27 2.66 2.31 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 114.463 1.282 . . . . 0.0 114.463 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.59 15.23 2.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-O 121.007 0.432 . . . . 0.0 111.027 -172.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 126.241 1.816 . . . . 0.0 108.651 -168.208 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.769 0 CA-C-O 121.187 0.326 . . . . 0.0 112.407 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -150.76 152.03 33.24 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.692 1.197 . . . . 0.0 109.376 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 99.7 mtp -144.89 135.13 24.12 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 126.001 1.72 . . . . 0.0 106.697 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 60.9 t30 -68.36 147.11 52.58 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 24.4 m -64.98 102.21 0.59 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.358 1.063 . . . . 0.0 110.473 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 72.8 m-85 63.86 -61.64 0.17 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 128.198 2.599 . . . . 0.0 114.265 172.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 12.5 t -63.65 122.5 14.65 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 CA-C-N 119.008 0.822 . . . . 0.0 109.221 -171.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 102.74 -20.75 42.88 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.576 1.56 . . . . 0.0 112.92 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 53.9 mt -70.85 134.55 47.41 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 119.103 1.451 . . . . 0.0 111.317 -176.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -77.4 129.21 35.49 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 27.1 m -147.72 177.64 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 -173.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.0 t -113.39 146.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.653 -2.351 . . . . 0.0 104.653 169.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.86 151.91 41.59 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 -172.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.3 tttt -83.03 140.51 32.66 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 106.646 -1.613 . . . . 0.0 106.646 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 38.9 t-105 -82.78 80.12 8.97 Favored 'General case' 0 N--CA 1.441 -0.882 0 N-CA-C 106.691 -1.596 . . . . 0.0 106.691 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.9 m -56.97 -24.01 50.06 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -170.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.6 m -63.42 -17.69 62.94 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.558 1.143 . . . . 0.0 113.78 177.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -149.55 -46.14 0.14 Allowed 'General case' 0 C--N 1.346 0.436 0 CA-C-N 119.953 1.251 . . . . 0.0 113.189 171.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.28 173.09 22.87 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.909 0.777 . . . . 0.0 112.682 -176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.9 m-30 69.86 164.27 0.26 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.966 2.506 . . . . 0.0 112.973 177.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -120.8 129.11 53.44 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.648 1.179 . . . . 0.0 108.609 -169.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -132.62 155.29 49.0 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.279 1.032 . . . . 0.0 108.8 -171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -70.92 147.38 48.81 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 123.715 0.806 . . . . 0.0 111.057 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -167.99 177.94 41.98 Favored Glycine 0 C--N 1.33 0.224 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 171.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.36 138.01 47.3 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 169.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 11.6 mt -66.81 122.33 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 171.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.4 HG23 ' H ' ' A' 1518 ' ' LEU . 41.0 p -88.56 -33.19 17.79 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -172.18 142.93 1.44 Allowed 'General case' 0 C--N 1.345 0.411 0 C-N-CA 123.483 0.713 . . . . 0.0 111.282 -171.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.56 112.88 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 102.907 -2.997 . . . . 0.0 102.907 167.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.3 t -65.17 -53.2 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.62 164.26 11.36 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.138 -1.985 . . . . 0.0 108.138 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.21 10.46 0.43 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 115.944 1.831 . . . . 0.0 115.944 176.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.91 -8.74 33.93 Favored Glycine 0 C--N 1.335 0.512 0 C-N-CA 125.359 1.457 . . . . 0.0 110.821 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.07 140.27 43.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 119.929 1.864 . . . . 0.0 108.23 170.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -127.41 133.84 49.95 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.221 -2.14 . . . . 0.0 105.221 169.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -81.99 144.0 31.2 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -129.66 116.1 18.33 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 124.803 1.241 . . . . 0.0 108.23 -169.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.4 ' H ' HG23 ' A' 1507 ' ' THR . 27.4 tp -84.07 92.35 7.86 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 103.139 -2.911 . . . . 0.0 103.139 168.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -56.57 143.46 35.53 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.49 -20.76 64.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.805 -0.559 . . . . 0.0 110.26 177.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . 0.606 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -66.06 -7.62 18.49 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.441 1.496 . . . . 0.0 112.455 169.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 103.44 -14.29 54.34 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.771 1.653 . . . . 0.0 112.141 169.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -73.58 160.16 32.06 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 118.278 1.039 . . . . 0.0 111.421 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -141.62 120.57 12.79 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 124.761 1.224 . . . . 0.0 107.702 173.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 53.4 m -150.62 164.88 34.98 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.993 1.317 . . . . 0.0 108.623 171.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -70.54 147.74 48.99 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 109.58 169.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.0 t -140.32 137.78 36.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 171.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.94 151.63 38.85 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.564 -0.71 . . . . 0.0 109.829 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.8 -38.63 65.0 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.125 0.869 . . . . 0.0 113.774 -172.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -21.34 65.93 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.119 -1.224 . . . . 0.0 112.223 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -97.98 16.35 21.28 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.827 1.251 . . . . 0.0 111.766 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.38 136.66 59.98 Favored 'Isoleucine or valine' 0 C--N 1.344 0.338 0 N-CA-C 106.773 -1.566 . . . . 0.0 106.773 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 59.4 mt -122.21 111.55 17.08 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 127.809 2.444 . . . . 0.0 106.306 -169.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.504 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -112.91 1.74 15.59 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -169.425 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.8 m -124.18 44.99 2.59 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 53.53 0.86 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 119.153 3.02 . . . . 0.0 119.153 -167.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.74 124.82 10.53 Favored 'Trans proline' 0 CA--C 1.544 1.01 1 N-CA-C 101.256 -4.171 . . . . 0.0 101.256 165.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.59 120.57 46.31 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 119.588 1.085 . . . . 0.0 109.925 -168.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 141.99 59.14 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 121.695 1.597 . . . . 0.0 110.249 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.445 ' H ' HD12 ' A' 1540 ' ' LEU . 5.7 mp -64.2 149.37 48.02 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-N 114.665 -1.152 . . . . 0.0 108.672 -177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.9 t70 76.56 -5.95 2.09 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 127.227 2.211 . . . . 0.0 113.514 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.6 m -69.04 138.19 54.22 Favored 'General case' 0 C--O 1.24 0.562 0 O-C-N 121.066 -1.021 . . . . 0.0 108.358 170.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -75.51 140.58 42.87 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -147.74 155.81 10.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 124.372 1.069 . . . . 0.0 108.763 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 24.0 m -90.9 148.66 22.31 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 169.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.52 141.67 49.78 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.223 1.409 . . . . 0.0 107.249 -174.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.4 mp -126.76 126.8 44.04 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.536 0.684 . . . . 0.0 110.209 175.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.8 m -68.72 166.12 18.07 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.469 1.108 . . . . 0.0 111.115 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -67.15 -21.49 65.81 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.247 1.019 . . . . 0.0 111.03 178.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.7 t0 -101.8 28.75 5.42 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-O 123.131 1.443 . . . . 0.0 109.545 169.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 67.5 -8.01 0.52 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.425 2.69 . . . . 0.0 115.948 169.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -53.92 135.15 42.8 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 120.732 1.605 . . . . 0.0 109.924 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.57 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -108.98 142.36 39.75 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 108.412 -169.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.22 175.67 11.95 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.106 0.962 . . . . 0.0 108.697 169.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 147.73 51.34 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -168.42 -159.66 14.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 108.329 -1.908 . . . . 0.0 108.329 -170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -134.28 140.85 45.16 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.315 0 CA-C-N 118.685 1.242 . . . . 0.0 109.849 -172.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.9 t -64.01 129.78 28.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 171.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -130.0 9.04 5.27 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.179 0.9 . . . . 0.0 111.634 170.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.85 -174.91 46.37 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 173.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.3 m80 -142.24 153.36 43.9 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 126.631 1.972 . . . . 0.0 109.628 -169.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -145.84 158.4 43.86 Favored 'General case' 0 CA--C 1.521 -0.154 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 171.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -126.71 134.09 50.76 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -146.13 130.1 17.31 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.57 -1.641 . . . . 0.0 106.57 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 48.79 33.02 4.0 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.413 1.085 . . . . 0.0 113.386 -177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.33 33.67 73.43 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.374 -0.681 . . . . 0.0 112.637 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -136.33 151.75 49.93 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 125.376 1.47 . . . . 0.0 107.365 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 2.0 mt -92.87 139.76 30.2 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 123.952 0.901 . . . . 0.0 112.639 -169.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -132.86 155.08 49.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.358 1.463 . . . . 0.0 109.527 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -134.81 132.59 38.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.2 p -83.69 104.39 13.77 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 105.776 -1.935 . . . . 0.0 105.776 171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.2 mm -88.33 113.3 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -73.17 133.9 44.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 169.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.8 ttpt -144.63 140.56 28.78 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 170.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 51.37 33.19 9.58 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.279 1.032 . . . . 0.0 112.873 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 69.53 24.29 76.23 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 121.634 -0.666 . . . . 0.0 113.064 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -138.9 158.3 44.46 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 172.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.07 136.12 53.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.885 0.766 . . . . 0.0 110.4 -169.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -127.95 130.74 48.91 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.53 128.93 33.98 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -130.11 157.14 43.22 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 124.113 0.965 . . . . 0.0 108.904 172.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . 0.451 ' HE3' ' SD ' ' A' 1584 ' ' MET . 57.7 pttt -100.08 159.72 14.88 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 118.272 -0.871 . . . . 0.0 110.085 -176.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 46.4 ptt85 -48.05 -48.35 33.26 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.088 1.313 . . . . 0.0 113.437 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . 0.451 ' SD ' ' HE3' ' A' 1582 ' ' LYS . 3.2 ppp? -69.01 -19.82 64.14 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.615 0.643 . . . . 0.0 112.705 -176.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.3 -22.7 23.74 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 124.941 1.296 . . . . 0.0 110.815 176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 62.5 t -92.6 89.31 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.659 0 N-CA-C 104.645 -2.354 . . . . 0.0 104.645 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.7 pt -95.26 144.34 10.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.851 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.0 mt -96.38 117.84 31.68 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 -177.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.16 149.65 19.18 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 173.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.7 pp -60.07 -32.87 71.35 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -168.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 48.4 tp10 -66.7 -35.88 81.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.307 0.958 . . . . 0.0 110.386 174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -76.36 -45.05 33.73 Favored 'General case' 0 C--O 1.224 -0.289 0 C-N-CA 123.695 0.798 . . . . 0.0 109.217 -176.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -59.12 -34.71 80.77 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 173.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -61.57 -49.63 75.88 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 121.477 -1.014 . . . . 0.0 110.768 178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -61.41 -12.21 13.49 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.7 -26.81 12.62 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.566 1.146 . . . . 0.0 109.386 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 61.8 ttp85 -53.07 -39.99 63.71 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.896 1.278 . . . . 0.0 111.751 174.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -61.22 -19.02 61.17 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -113.2 -40.68 3.86 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 119.533 1.061 . . . . 0.0 111.65 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -102.79 -12.32 17.69 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.543 1.137 . . . . 0.0 114.0 -169.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -58.03 130.0 50.37 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.499 -1.041 . . . . 0.0 110.499 -176.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.504 HD22 HD23 ' A' 1534 ' ' LEU . 1.1 mt -64.08 -47.92 78.22 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 118.55 1.175 . . . . 0.0 109.779 176.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.244 0 CA-C-O 117.522 -1.71 . . . . 0.0 110.647 -169.178 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -138.27 22.19 2.77 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.352 1.061 . . . . 0.0 111.663 -175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -65.74 158.12 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 120.025 -1.672 . . . . 0.0 110.776 175.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -30.66 132.0 0.08 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.752 2.021 . . . . 0.0 111.777 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.57 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.8 OUTLIER -120.46 2.22 10.72 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -168.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 72.3 mmt-85 -144.31 168.36 20.27 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 127.945 2.498 . . . . 0.0 104.815 178.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.467 ' CD ' ' C ' ' B' ' 20' ' ' MLY . . . . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -172.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.699 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -44.35 156.19 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.34 0.155 0 O-C-N 124.638 1.211 . . . . 0.0 110.332 -174.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.699 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.327 0.0 OUTLIER 56.85 167.33 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 129.68 3.192 . . . . 0.0 114.024 176.953 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 18.5 ttt180 -156.48 -57.07 0.09 Allowed 'General case' 0 C--N 1.34 0.19 0 O-C-N 120.856 -1.152 . . . . 0.0 110.328 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 38.13 46.03 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.375 1.87 . . . . 0.0 114.031 172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.79 30.92 0.88 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.555 1.142 . . . . 0.0 112.085 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.07 6.4 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.389 -168.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.561 1.544 . . . . 0.0 108.87 -168.795 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.536 -0.626 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -68.63 -41.4 79.51 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 121.617 -0.931 . . . . 0.0 110.447 176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -84.49 165.28 18.22 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.689 0.796 . . . . 0.0 109.606 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -138.28 162.4 34.42 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.931 2.092 . . . . 0.0 107.692 172.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 14.1 m -57.33 117.8 4.47 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.211 1.005 . . . . 0.0 110.705 -173.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 71.9 m-85 59.87 -68.42 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 128.199 2.6 . . . . 0.0 114.615 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 6.1 t -58.75 108.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 125.889 1.676 . . . . 0.0 109.863 -170.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.06 -18.61 16.09 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.059 1.314 . . . . 0.0 112.689 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.31 135.91 47.62 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 118.838 1.319 . . . . 0.0 109.973 -178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 81.5 mtm-85 -77.67 128.54 34.25 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 105.835 -1.913 . . . . 0.0 105.835 169.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 23.1 m -146.54 178.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -173.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.77 149.98 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 104.134 -2.543 . . . . 0.0 104.134 169.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.442 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.71 152.82 38.43 Favored 'General case' 0 CA--C 1.516 -0.352 0 O-C-N 120.402 -1.436 . . . . 0.0 108.625 -172.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.7 tttt -82.22 141.11 33.27 Favored 'General case' 0 CA--C 1.509 -0.62 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.621 ' CE3' HH12 ' B' ' 20' ' ' MLY . 48.3 t-105 -84.63 77.9 9.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 106.949 -1.5 . . . . 0.0 106.949 169.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.7 m -57.61 -21.34 38.73 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.047 0.939 . . . . 0.0 113.397 -170.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.6 m -60.49 -21.77 62.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.574 1.15 . . . . 0.0 113.289 174.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 53.5 t30 -150.91 -46.23 0.12 Allowed 'General case' 0 C--N 1.347 0.476 0 CA-C-N 120.024 1.284 . . . . 0.0 113.485 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 154.68 174.88 25.18 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 119.182 0.901 . . . . 0.0 112.871 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.1 m-30 69.42 164.52 0.25 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.434 2.694 . . . . 0.0 111.977 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.419 ' CD1' ' HA3' ' A' 1593 ' ' GLY . 60.8 m-85 -119.75 134.7 55.14 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.707 1.203 . . . . 0.0 108.584 -173.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -134.04 151.78 51.57 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 124.673 1.189 . . . . 0.0 108.153 -171.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -65.65 146.58 54.64 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.234 1.013 . . . . 0.0 110.58 178.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.64 177.89 42.92 Favored Glycine 0 CA--C 1.523 0.543 0 CA-C-N 118.485 0.584 . . . . 0.0 111.708 173.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.2 138.38 51.33 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 172.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 9.8 mt -69.18 117.33 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 40.5 p -84.36 -38.11 20.71 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.17 137.81 2.52 Favored 'General case' 0 C--N 1.344 0.368 0 C-N-CA 124.57 1.148 . . . . 0.0 109.453 -174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -70.9 106.11 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 169.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.1 t -61.49 -54.11 39.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 -174.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.47 166.73 11.65 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.93 10.01 0.7 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 174.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.06 -9.71 31.57 Favored Glycine 0 C--N 1.336 0.55 0 C-N-CA 125.036 1.303 . . . . 0.0 111.224 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -78.56 139.49 38.6 Favored 'General case' 0 C--N 1.339 0.127 0 CA-C-N 119.474 1.637 . . . . 0.0 108.628 170.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -130.05 132.26 46.12 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 104.713 -2.328 . . . . 0.0 104.713 169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -83.45 143.56 30.17 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.61 116.7 19.26 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.488 1.115 . . . . 0.0 108.333 -169.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 25.5 tp -83.32 93.04 7.64 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 103.697 -2.705 . . . . 0.0 103.697 168.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -58.33 144.59 40.96 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.782 172.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.27 -23.64 66.43 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 122.964 0.506 . . . . 0.0 110.553 177.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.4 p30 -67.43 -5.31 14.22 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.176 1.391 . . . . 0.0 113.381 170.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.15 39.06 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 125.807 1.67 . . . . 0.0 113.04 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.515 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 34.8 m-85 -77.17 159.29 29.84 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 118.019 0.909 . . . . 0.0 111.482 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -142.16 108.52 5.28 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 124.732 1.213 . . . . 0.0 108.185 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 72.4 m -142.67 161.41 38.15 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 124.583 1.153 . . . . 0.0 109.157 175.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.88 147.95 50.94 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 123.769 0.828 . . . . 0.0 110.22 170.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -143.33 143.08 25.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 106.251 -1.759 . . . . 0.0 106.251 172.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.2 tp -84.09 153.25 23.87 Favored 'General case' 0 C--O 1.226 -0.163 0 O-C-N 121.545 -0.722 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.53 -39.64 45.54 Favored Glycine 0 C--N 1.339 0.712 0 C-N-CA 125.21 1.386 . . . . 0.0 114.218 -169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 3.1 mmtt -57.63 -43.57 84.93 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.442 1.121 . . . . 0.0 108.607 -177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -83.52 17.79 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 -170.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -121.71 126.12 74.27 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.148 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 176.622 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 56.3 mt -110.44 105.89 15.02 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.306 2.642 . . . . 0.0 104.959 -169.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.57 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -105.6 -1.82 24.22 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 116.986 2.217 . . . . 0.0 116.986 -168.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.5 t -129.76 53.96 1.88 Allowed 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 104.494 -2.409 . . . . 0.0 104.494 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.6 t0 -120.26 51.01 1.9 Allowed Pre-proline 0 CA--C 1.538 0.483 0 N-CA-C 117.986 2.587 . . . . 0.0 117.986 -167.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -66.97 127.3 16.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 N-CA-C 101.708 -3.997 . . . . 0.0 101.708 166.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.7 mm -58.71 119.06 33.73 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 109.83 -168.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -67.19 142.24 60.19 Favored 'Trans proline' 0 N--CA 1.449 -1.101 0 C-N-CA 121.648 1.566 . . . . 0.0 109.926 176.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.485 ' H ' HD12 ' A' 1540 ' ' LEU . 4.8 mp -65.85 143.34 57.52 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 84.79 -9.4 0.88 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.964 2.906 . . . . 0.0 112.992 -172.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.3 m -68.19 134.93 51.26 Favored 'General case' 0 C--O 1.239 0.502 0 O-C-N 120.962 -1.086 . . . . 0.0 108.731 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -72.36 139.76 48.08 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 170.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.8 m -147.26 157.2 10.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 C-N-CA 124.233 1.013 . . . . 0.0 109.042 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.6 m -90.78 149.37 22.02 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 169.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.51 135.28 46.94 Favored 'General case' 0 N--CA 1.448 -0.558 0 C-N-CA 125.582 1.553 . . . . 0.0 107.578 -176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -122.03 117.4 26.25 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 40.0 m -65.15 164.58 12.85 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.511 0.725 . . . . 0.0 111.2 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -61.47 -31.63 71.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.507 0.723 . . . . 0.0 110.442 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 20.5 t0 -89.54 20.1 4.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.925 0.89 . . . . 0.0 111.707 175.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 71.39 4.61 5.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 128.232 2.613 . . . . 0.0 114.745 171.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -62.24 135.97 57.72 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 122.339 2.336 . . . . 0.0 110.097 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.639 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.99 133.28 53.52 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 126.744 2.018 . . . . 0.0 107.185 -172.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.9 m -150.64 172.13 16.03 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 169.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -124.75 151.8 44.63 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.303 0.641 . . . . 0.0 109.618 169.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.65 -161.12 19.48 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 108.037 -2.025 . . . . 0.0 108.037 -171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.5 t -133.43 139.09 49.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 CA-C-N 118.692 1.246 . . . . 0.0 110.29 -172.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -63.95 129.01 27.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 171.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.6 mttt -133.27 15.11 4.15 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 119.333 0.969 . . . . 0.0 111.809 169.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.33 -175.9 47.42 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 121.585 -0.697 . . . . 0.0 111.372 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.0 m80 -143.37 153.8 43.08 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 126.341 1.856 . . . . 0.0 109.679 -169.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 39.1 ttt85 -145.9 158.84 43.85 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 171.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.87 129.89 47.65 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 105.763 -1.94 . . . . 0.0 105.763 170.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -147.21 130.48 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 24.3 m 49.55 33.5 5.87 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.661 1.185 . . . . 0.0 113.323 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 71.04 29.07 69.4 Favored Glycine 0 CA--C 1.532 1.109 0 CA-C-O 118.895 -0.947 . . . . 0.0 112.423 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.82 152.03 51.27 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 125.119 1.368 . . . . 0.0 107.323 178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 33.7 tp -101.41 137.16 40.11 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.811 1.244 . . . . 0.0 109.729 -169.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -131.33 155.52 47.07 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.467 1.507 . . . . 0.0 109.171 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -133.97 131.22 38.72 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.208 -1.775 . . . . 0.0 106.208 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.81 107.82 15.71 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 169.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.4 mm -90.4 110.73 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 177.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -73.58 133.83 43.61 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -144.42 135.19 24.91 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 105.904 -1.888 . . . . 0.0 105.904 174.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 51.64 35.45 14.88 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.506 1.123 . . . . 0.0 112.381 179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 72.0 22.83 78.67 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 119.115 -0.825 . . . . 0.0 113.235 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -138.73 157.06 46.81 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 172.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -111.63 137.71 49.14 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 118.514 0.597 . . . . 0.0 110.415 -169.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -133.95 127.59 32.73 Favored 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -172.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.76 129.55 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -130.45 157.54 42.35 Favored 'General case' 0 N--CA 1.462 0.133 0 C-N-CA 124.163 0.985 . . . . 0.0 109.061 171.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.34 159.06 15.19 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.358 1.063 . . . . 0.0 109.984 -174.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -47.11 -50.27 20.42 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.014 1.279 . . . . 0.0 113.101 -172.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 1.2 ptm -72.59 -18.3 61.62 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 118.662 0.665 . . . . 0.0 112.587 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -84.15 -22.25 31.07 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 124.253 1.021 . . . . 0.0 111.041 174.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 76.4 t -93.9 89.59 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 104.672 -2.344 . . . . 0.0 104.672 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.2 pt -97.89 144.25 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.39 116.17 28.61 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 105.921 -1.881 . . . . 0.0 105.921 -174.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.85 146.95 16.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 172.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.254 2.5 pp -57.63 -36.53 71.94 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 -167.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -64.01 -37.88 89.05 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 119.527 1.058 . . . . 0.0 109.946 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -76.14 -45.16 34.95 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -173.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . 0.419 ' HA3' ' CD1' ' A' 1501 ' ' PHE . . . -54.39 -38.65 62.99 Favored Glycine 0 C--N 1.341 0.818 0 N-CA-C 111.845 -0.502 . . . . 0.0 111.845 169.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -62.06 -49.98 73.81 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 117.985 0.892 . . . . 0.0 110.132 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -60.02 -13.21 10.39 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 11.5 mt -100.76 -30.22 11.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.27 1.028 . . . . 0.0 108.941 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.0 ttp180 -55.3 -39.75 70.27 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 126.383 1.873 . . . . 0.0 111.797 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -59.01 -20.02 49.18 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.7 tt0 -113.46 -43.26 3.35 Favored 'General case' 0 C--N 1.345 0.371 0 CA-C-N 119.415 1.007 . . . . 0.0 111.596 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -99.59 -11.3 21.1 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 124.689 1.196 . . . . 0.0 114.225 -169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.75 133.01 44.2 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 109.862 -1.295 . . . . 0.0 109.862 176.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.57 HD22 HD23 ' A' 1534 ' ' LEU . 2.5 mt -62.94 -41.83 99.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 118.686 1.243 . . . . 0.0 109.795 175.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.295 0 N-CA-C 108.849 -1.7 . . . . 0.0 108.849 -173.939 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.833 0 N-CA-C 112.311 -0.315 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.17 46.7 0.62 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.954 1.701 . . . . 0.0 113.245 -170.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -71.47 157.21 38.43 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 120.068 -1.645 . . . . 0.0 110.603 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -25.33 118.32 0.06 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 127.957 2.503 . . . . 0.0 111.129 169.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.4 OUTLIER -99.83 -12.28 20.02 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -168.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.593 HH11 ' CD2' ' B' ' 18' ' ' HIS . 72.4 mtt85 -141.83 172.85 12.12 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 128.646 2.778 . . . . 0.0 105.436 -176.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.621 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.33 -0.251 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 169.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.573 ' HB ' HD13 ' B' ' 22' ' ' LEU . 11.8 t -147.78 -116.37 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 N-CA-C 105.079 -2.193 . . . . 0.0 105.079 173.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.642 HD13 ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -41.87 166.66 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 129.296 3.038 . . . . 0.0 115.328 173.051 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -153.78 161.68 41.88 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 169.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 30.4 t70 62.96 -52.34 0.18 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.846 2.858 . . . . 0.0 117.313 169.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.54 33.77 0.9 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.41 1.084 . . . . 0.0 111.196 -175.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -97.06 10.18 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.109 -168.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.29 1.436 . . . . 0.0 108.577 -169.358 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . 0.41 ' CG ' ' H ' ' A' ' -1' ' ' MET . 8.7 t60 59.83 177.81 0.09 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.333 1.853 . . . . 0.0 112.453 -172.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . 0.41 ' H ' ' CG ' ' A' ' -2' ' ' HIS . 99.8 mmm -64.9 164.89 11.67 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.883 1.273 . . . . 0.0 110.705 174.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 53.3 t30 -140.44 158.98 43.19 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 125.424 1.49 . . . . 0.0 108.322 174.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.1 m -72.0 97.58 1.91 Allowed 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 123.269 0.628 . . . . 0.0 109.758 177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 88.4 m-85 67.09 -67.36 0.17 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 127.027 2.131 . . . . 0.0 113.824 169.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -58.64 115.49 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 C-N-CA 124.671 1.188 . . . . 0.0 109.068 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 110.81 -20.56 24.35 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.55 1.548 . . . . 0.0 112.991 179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.11 136.18 38.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 118.779 1.289 . . . . 0.0 110.369 -172.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -75.37 130.83 39.65 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.3 m -145.87 -173.21 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 C-N-CA 126.7 2.0 . . . . 0.0 106.5 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 45.2 t -118.93 150.11 21.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 104.42 -2.437 . . . . 0.0 104.42 169.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -143.46 149.16 37.18 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 75.4 tttt -83.18 135.63 34.72 Favored 'General case' 0 CA--C 1.511 -0.557 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.496 ' CE3' HH12 ' B' ' 20' ' ' MLY . 53.1 t-105 -71.83 111.43 7.09 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.0 m -56.79 -21.51 29.15 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.425 1.89 . . . . 0.0 115.297 -169.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.9 m -76.23 48.11 0.5 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.784 1.234 . . . . 0.0 111.114 173.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.0 t30 36.76 55.21 1.17 Allowed 'General case' 0 C--O 1.238 0.463 0 C-N-CA 128.895 2.878 . . . . 0.0 114.042 -173.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -112.76 -161.25 15.05 Favored Glycine 0 C--N 1.337 0.606 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 174.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.471 ' CG ' ' HA ' ' A' 1589 ' ' SER . 8.8 m-30 -85.89 -169.31 2.58 Favored 'General case' 0 C--N 1.333 -0.123 0 C-N-CA 123.481 0.713 . . . . 0.0 110.897 -173.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -111.52 117.06 31.97 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 105.599 -2.0 . . . . 0.0 105.599 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.501 ' CD2' HG13 ' B' ' 21' ' ' VAL . 79.7 m-85 -124.32 149.39 46.63 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 109.497 -169.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 10.8 m -64.8 141.92 58.61 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.227 0.611 . . . . 0.0 110.574 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.01 168.56 39.24 Favored Glycine 0 C--N 1.333 0.366 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -111.47 133.27 53.88 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.01 112.91 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 59.2 p -80.07 -38.8 31.01 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.05 138.65 1.73 Allowed 'General case' 0 C--N 1.346 0.451 0 C-N-CA 124.078 0.951 . . . . 0.0 109.946 -173.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -70.42 105.66 3.13 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 168.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.5 t -60.51 -54.49 34.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 -175.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.37 164.69 10.63 Favored Glycine 0 C--N 1.336 0.563 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.57 9.76 0.6 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.329 1.603 . . . . 0.0 115.329 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.3 -10.66 33.54 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.542 1.544 . . . . 0.0 110.913 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.31 140.6 43.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 119.953 1.876 . . . . 0.0 108.376 173.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -127.82 133.57 49.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.286 -2.116 . . . . 0.0 105.286 169.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -83.49 142.71 30.72 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.4 119.68 24.24 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 29.0 tp -84.01 93.18 8.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 103.136 -2.913 . . . . 0.0 103.136 169.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -53.51 151.31 5.88 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -64.35 -17.08 63.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.37 0.605 . . . . 0.0 110.395 176.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.09 -23.66 65.65 Favored 'General case' 0 N--CA 1.446 -0.625 0 C-N-CA 126.845 2.058 . . . . 0.0 111.182 172.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 93.78 -10.6 72.22 Favored Glycine 0 CA--C 1.532 1.142 0 C-N-CA 124.891 1.234 . . . . 0.0 112.324 -169.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -64.09 152.88 39.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.518 1.159 . . . . 0.0 110.661 171.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -144.15 110.15 5.37 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 124.742 1.217 . . . . 0.0 108.523 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 80.7 m -142.36 161.15 38.77 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.123 0.969 . . . . 0.0 109.135 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.21 145.81 52.9 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 123.561 0.745 . . . . 0.0 109.596 169.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 72.4 t -139.38 139.91 38.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 105.746 -1.946 . . . . 0.0 105.746 171.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.9 mt -75.3 148.77 39.07 Favored 'General case' 0 C--O 1.224 -0.268 0 O-C-N 121.325 -0.859 . . . . 0.0 109.713 178.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.94 -38.84 66.27 Favored Glycine 0 C--N 1.339 0.711 0 C-N-CA 124.645 1.117 . . . . 0.0 113.644 -170.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.6 -32.62 67.39 Favored 'General case' 0 C--O 1.222 -0.389 0 C-N-CA 119.585 -0.846 . . . . 0.0 111.628 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -89.98 17.09 7.21 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.511 1.524 . . . . 0.0 112.766 -172.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.84 110.14 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -177.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.3 mt -86.6 115.89 24.37 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -111.53 2.02 17.19 Favored 'General case' 0 N--CA 1.478 0.96 0 CA-C-N 119.986 1.266 . . . . 0.0 114.013 -175.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 66.3 m -118.48 42.2 2.79 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 105.346 -2.094 . . . . 0.0 105.346 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -88.21 4.89 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.518 1 N-CA-C 123.829 4.752 . . . . 0.0 123.829 -166.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -55.26 118.37 5.09 Favored 'Trans proline' 0 CA--C 1.545 1.046 0 CA-C-N 125.619 3.042 . . . . 0.0 106.266 168.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.8 mm -61.63 127.28 88.47 Favored Pre-proline 0 CA--C 1.538 0.515 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -168.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -60.42 138.8 82.98 Favored 'Trans proline' 0 N--CA 1.451 -1.027 0 C-N-CA 121.493 1.462 . . . . 0.0 110.064 171.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.24 146.95 32.2 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 26.2 t70 75.51 -3.66 2.54 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.963 2.505 . . . . 0.0 113.739 -174.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 20.4 m -71.58 136.42 47.42 Favored 'General case' 0 C--O 1.24 0.578 0 O-C-N 120.72 -1.237 . . . . 0.0 108.139 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -75.71 139.11 41.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 4.8 m -147.24 157.5 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 124.413 1.085 . . . . 0.0 109.696 -177.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 45.1 m -91.22 149.65 21.68 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.853 -1.906 . . . . 0.0 105.853 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.39 133.01 46.05 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 -177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 114.41 23.1 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.296 1.038 . . . . 0.0 108.332 177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 26.9 m -61.81 152.14 32.33 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -68.68 -21.71 64.41 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 122.312 0.245 . . . . 0.0 110.967 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.21 22.37 0.82 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.133 1.373 . . . . 0.0 111.595 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.35 0.2 OUTLIER 45.85 63.14 1.93 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 129.169 2.987 . . . . 0.0 115.612 179.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -118.26 145.6 44.91 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 168.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.509 ' CD2' ' CG ' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -123.47 140.51 52.94 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.319 1.047 . . . . 0.0 108.634 -170.028 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 74.2 m -151.14 176.34 11.27 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 125.216 1.406 . . . . 0.0 108.488 170.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.97 148.59 52.53 Favored 'General case' 0 C--N 1.337 0.043 0 CA-C-N 118.598 0.636 . . . . 0.0 110.06 169.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -165.31 -157.61 9.95 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 126.481 1.991 . . . . 0.0 108.498 -172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.8 t -132.52 139.49 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.49 0 CA-C-N 118.693 1.246 . . . . 0.0 109.709 -175.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 49.0 t -63.08 125.24 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 169.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 83.2 mttt -128.42 12.52 6.47 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 119.399 1.0 . . . . 0.0 112.855 169.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -172.86 165.9 38.37 Favored Glycine 0 C--N 1.336 0.549 0 O-C-N 121.687 -0.633 . . . . 0.0 111.532 169.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 8.8 m80 -117.97 155.52 30.11 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 127.25 2.22 . . . . 0.0 109.234 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -151.33 160.29 43.86 Favored 'General case' 0 C--O 1.23 0.06 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 170.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -126.29 123.77 38.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.73 141.16 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -173.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 28.7 m 50.19 28.9 3.33 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.68 33.61 84.91 Favored Glycine 0 CA--C 1.534 1.281 0 CA-C-O 119.27 -0.739 . . . . 0.0 112.404 -177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -139.55 155.39 47.53 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 31.2 tp -93.45 126.45 38.6 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 125.324 1.449 . . . . 0.0 108.201 -177.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -115.67 157.03 24.83 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.062 1.345 . . . . 0.0 109.861 -177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -138.15 133.39 33.29 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.489 -1.232 . . . . 0.0 108.008 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 13.0 t -79.81 107.49 12.63 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 103.106 -2.924 . . . . 0.0 103.106 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 17.1 mm -91.67 109.51 21.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 104.446 -2.427 . . . . 0.0 104.446 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.03 132.86 41.63 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 169.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -144.34 141.84 30.0 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 173.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 50.57 31.56 5.81 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.18 0.992 . . . . 0.0 112.47 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 70.76 22.79 78.21 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.05 -0.861 . . . . 0.0 113.299 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -134.54 152.16 51.6 Favored 'General case' 0 C--N 1.339 0.128 0 CA-C-N 118.378 1.089 . . . . 0.0 108.619 171.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -103.33 132.43 49.6 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 124.34 1.056 . . . . 0.0 109.229 -169.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -136.35 126.2 25.76 Favored 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -171.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.9 m95 -79.94 130.86 35.62 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -131.24 160.04 36.05 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.883 1.273 . . . . 0.0 109.021 170.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -100.92 158.34 16.06 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.005 . . . . 0.0 110.023 -175.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -46.25 -50.36 16.08 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 120.289 1.404 . . . . 0.0 111.976 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 2.6 ptm -67.43 -22.0 65.54 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.665 1.12 . . . . 0.0 113.368 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.11 -22.49 28.86 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.29 1.036 . . . . 0.0 110.959 175.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 89.3 t -94.47 89.23 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 N-CA-C 104.819 -2.289 . . . . 0.0 104.819 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.3 pt -101.19 145.9 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -173.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.6 mt -98.45 121.24 40.14 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 104.469 -2.419 . . . . 0.0 104.469 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.471 ' HA ' ' CG ' ' A' 1500 ' ' TYR . 75.0 p -60.82 158.67 12.52 Favored 'General case' 0 C--O 1.232 0.143 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 173.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.68 -35.91 66.55 Favored 'General case' 0 C--O 1.226 -0.175 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 -169.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -73.62 -36.6 65.48 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.588 1.54 . . . . 0.0 110.39 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -63.47 -48.98 75.44 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -58.71 -37.51 89.89 Favored Glycine 0 C--N 1.341 0.831 0 C-N-CA 125.28 1.419 . . . . 0.0 111.538 175.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -61.98 -49.21 77.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.961 0.904 . . . . 0.0 110.411 -178.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 45.6 mtt-85 -59.25 -16.06 19.06 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.515 0.726 . . . . 0.0 112.141 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 13.4 mt -104.0 -27.04 12.38 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.658 1.183 . . . . 0.0 109.622 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -56.33 -39.37 72.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 125.062 1.345 . . . . 0.0 111.512 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -58.28 -20.51 43.07 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -113.7 -44.39 3.2 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-N 119.334 0.97 . . . . 0.0 111.519 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -97.59 -14.52 20.95 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.652 1.181 . . . . 0.0 113.393 -169.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -56.57 135.27 50.82 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 109.151 -1.579 . . . . 0.0 109.151 176.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1534 ' ' LEU . 1.5 mt -61.74 -41.85 98.2 Favored 'General case' 0 C--N 1.344 0.334 0 CA-C-N 118.593 1.197 . . . . 0.0 109.004 178.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 -178.185 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.69 164.49 16.84 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.758 0.823 . . . . 0.0 111.193 176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 tptp -161.69 165.36 28.27 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.739 1.616 . . . . 0.0 107.96 169.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' B' ' 22' ' ' LEU . 66.0 ttp85 -40.19 127.85 2.26 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.586 1.085 . . . . 0.0 110.627 175.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.509 ' CG ' ' CD2' ' A' 1553 ' ' PHE . 2.1 p-80 -105.75 -12.12 16.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.702 2.001 . . . . 0.0 115.281 -167.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.404 ' HG2' ' CD2' ' B' ' 18' ' ' HIS . 70.8 mmt-85 -145.21 166.67 24.8 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 127.984 2.514 . . . . 0.0 104.914 -176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.496 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 117.586 2.439 . . . . 0.0 117.586 -170.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.618 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -44.62 160.37 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.521 -0.157 0 O-C-N 124.671 1.232 . . . . 0.0 112.525 -173.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.618 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.282 0.0 OUTLIER 51.14 -175.16 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.315 2.246 . . . . 0.0 113.055 -177.377 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -156.18 149.35 24.38 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 120.968 -1.083 . . . . 0.0 109.09 170.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -146.43 166.34 26.66 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.188 1.395 . . . . 0.0 108.138 169.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -61.92 -9.94 8.23 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 118.685 2.846 . . . . 0.0 118.685 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.41 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -82.52 -2.23 6.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -173.161 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 . . . . . 0 C--O 1.255 1.388 0 C-N-CA 126.642 1.977 . . . . 0.0 109.464 -169.078 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.763 0 CA-C-O 121.506 0.503 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -150.82 167.97 25.86 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.901 1.28 . . . . 0.0 109.394 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -64.43 166.78 7.81 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.452 1.101 . . . . 0.0 112.483 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -143.44 166.4 24.88 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 127.248 2.219 . . . . 0.0 106.606 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 46.3 m -57.51 -49.33 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 173.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -152.29 -53.32 0.12 Allowed 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 123.607 0.567 . . . . 0.0 109.789 -170.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.1 t -66.21 111.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 C-N-CA 123.829 0.852 . . . . 0.0 109.053 -170.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 113.38 -17.1 21.65 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.503 1.049 . . . . 0.0 112.489 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -75.87 134.98 40.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 118.454 1.127 . . . . 0.0 109.012 -173.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -76.64 127.31 32.54 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 19.8 m -145.14 180.0 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 125.537 1.535 . . . . 0.0 107.388 -172.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -118.47 142.52 32.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 105.188 -2.152 . . . . 0.0 105.188 171.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -141.27 150.29 42.41 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.987 0.915 . . . . 0.0 108.879 -169.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 73.9 tttt -82.55 139.9 33.58 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.589 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.5 t-105 -92.12 116.03 28.59 Favored 'General case' 0 N--CA 1.438 -1.038 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 169.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.4 m -65.95 -37.41 85.95 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -169.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -74.56 -21.38 59.54 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -168.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 18.3 m120 -137.37 -3.27 1.94 Allowed 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.301 0.955 . . . . 0.0 112.575 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 77.14 -178.77 51.03 Favored Glycine 0 CA--C 1.525 0.657 0 CA-C-N 118.519 0.6 . . . . 0.0 111.771 -175.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 8.2 m-30 75.93 162.54 0.24 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 128.488 2.715 . . . . 0.0 110.5 -173.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -116.07 132.24 56.71 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -174.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -128.81 150.27 50.38 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 125.187 1.395 . . . . 0.0 108.636 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.0 m -66.94 144.47 56.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.057 0.543 . . . . 0.0 110.443 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.63 176.72 40.43 Favored Glycine 0 C--N 1.332 0.339 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 173.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.9 137.43 51.99 Favored 'General case' 0 CA--C 1.514 -0.432 0 N-CA-C 106.262 -1.755 . . . . 0.0 106.262 172.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.4 mt -69.91 117.32 12.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 174.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 39.1 p -84.64 -37.58 20.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 123.203 0.314 . . . . 0.0 110.25 -176.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -166.79 138.46 3.42 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 124.346 1.058 . . . . 0.0 109.011 -175.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.07 105.94 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 169.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.8 t -60.08 -53.33 50.08 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -174.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 140.71 169.99 11.94 Favored Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 178.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.95 8.82 0.54 Allowed 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.742 1.756 . . . . 0.0 115.742 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.72 -10.39 30.1 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 125.252 1.406 . . . . 0.0 110.89 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.77 140.04 37.04 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 119.726 1.763 . . . . 0.0 108.432 171.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -129.33 133.08 47.26 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 169.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.8 ttpt -84.53 141.88 30.42 Favored 'General case' 0 CA--C 1.507 -0.702 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.5 mm? -128.25 116.75 20.35 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 -169.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.3 tp -83.5 95.05 8.16 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 102.601 -3.111 . . . . 0.0 102.601 168.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -57.61 150.97 18.03 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 170.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -62.82 -18.2 62.45 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.388 0.613 . . . . 0.0 110.712 174.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.32 -24.26 64.87 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.288 2.235 . . . . 0.0 111.174 173.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 94.27 -8.31 72.37 Favored Glycine 0 CA--C 1.535 1.315 0 C-N-CA 125.035 1.302 . . . . 0.0 112.457 -170.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.425 ' CD1' ' HE2' ' B' ' 20' ' ' MLY . 22.0 m-85 -65.64 151.69 45.92 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.919 1.359 . . . . 0.0 109.217 169.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -142.7 107.53 4.89 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 33.5 m -144.82 157.2 44.25 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.94 145.47 53.61 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.139 0.575 . . . . 0.0 109.793 169.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 47.9 t -142.96 141.92 26.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 105.597 -2.001 . . . . 0.0 105.597 173.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.4 tp -82.59 155.77 24.29 Favored 'General case' 0 C--O 1.223 -0.33 0 O-C-N 121.443 -0.786 . . . . 0.0 110.799 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.89 -38.06 63.91 Favored Glycine 0 N--CA 1.465 0.604 0 C-N-CA 124.224 0.916 . . . . 0.0 113.621 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.44 -34.69 78.31 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.35 -1.088 . . . . 0.0 109.575 -178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -83.31 12.21 5.67 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.806 1.243 . . . . 0.0 112.334 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.75 135.99 61.59 Favored 'Isoleucine or valine' 0 C--N 1.342 0.244 0 CA-C-N 120.104 1.32 . . . . 0.0 107.472 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.88 110.18 16.43 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 128.397 2.679 . . . . 0.0 104.405 -170.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.649 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -107.22 -3.85 19.37 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -168.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 14.0 p -134.99 49.8 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 36.2 t0 -118.76 54.21 2.16 Favored Pre-proline 0 CA--C 1.542 0.65 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -66.98 126.87 15.88 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 N-CA-C 102.335 -3.756 . . . . 0.0 102.335 166.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 5.9 mm -59.58 120.29 47.61 Favored Pre-proline 0 CA--C 1.539 0.524 0 CA-C-N 119.528 1.058 . . . . 0.0 109.282 -168.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -67.89 142.71 58.15 Favored 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 121.289 1.326 . . . . 0.0 109.913 175.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.523 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -63.98 143.86 57.54 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.837 -1.172 . . . . 0.0 107.837 -178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 24.6 t70 84.63 -9.09 0.91 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 128.497 2.719 . . . . 0.0 113.216 -172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 21.7 m -68.66 136.06 52.35 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 121.081 -1.012 . . . . 0.0 108.791 172.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -72.38 140.54 48.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 170.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.7 m -146.22 154.92 12.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 C-N-CA 123.999 0.919 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.3 m -90.72 151.19 21.33 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 105.231 -2.136 . . . . 0.0 105.231 168.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -131.1 142.02 50.22 Favored 'General case' 0 N--CA 1.447 -0.61 0 C-N-CA 126.283 1.833 . . . . 0.0 106.624 -174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.21 130.8 46.76 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 118.509 0.595 . . . . 0.0 110.201 171.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 45.8 m -70.3 166.48 20.08 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 124.229 1.012 . . . . 0.0 110.301 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -62.99 -31.51 72.66 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.946 -0.471 . . . . 0.0 110.351 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 33.7 t0 -85.01 18.46 2.49 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 122.425 1.107 . . . . 0.0 111.558 172.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 70.5 -1.98 2.35 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 127.946 2.498 . . . . 0.0 114.777 170.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -54.67 133.12 46.76 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 121.058 1.754 . . . . 0.0 109.842 177.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.606 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -104.44 139.34 39.51 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 125.562 1.545 . . . . 0.0 107.609 -169.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 2.1 m -151.38 168.41 24.89 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.858 1.263 . . . . 0.0 109.092 -176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -142.62 145.07 33.13 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-N 118.896 0.771 . . . . 0.0 110.083 171.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.28 -156.35 9.79 Favored Glycine 0 CA--C 1.521 0.46 0 N-CA-C 108.432 -1.867 . . . . 0.0 108.432 -171.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.2 t -134.36 140.53 45.74 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 CA-C-N 118.54 1.17 . . . . 0.0 109.174 -172.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 72.3 t -64.4 127.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 172.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.4 mttt -133.1 13.96 4.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.795 0.725 . . . . 0.0 112.428 170.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.95 177.87 48.26 Favored Glycine 0 C--N 1.338 0.684 0 O-C-N 121.402 -0.811 . . . . 0.0 111.222 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.6 m80 -136.56 153.25 51.04 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 126.151 1.78 . . . . 0.0 109.174 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 36.9 ttt85 -147.03 158.38 43.91 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.0 mmtp -127.84 128.65 45.61 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 169.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -146.67 132.7 19.23 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.9 m 49.73 32.38 5.16 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.575 1.15 . . . . 0.0 113.212 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.14 29.58 72.13 Favored Glycine 0 CA--C 1.532 1.156 0 CA-C-O 119.096 -0.835 . . . . 0.0 112.751 -179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -130.99 151.61 51.21 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 30.5 tp -99.55 135.62 40.7 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.969 0.908 . . . . 0.0 110.095 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -129.58 154.88 46.63 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.513 1.525 . . . . 0.0 109.39 -174.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -134.12 135.3 43.08 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 14.1 t -80.61 109.89 15.57 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 103.692 -2.707 . . . . 0.0 103.692 169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 18.4 mm -94.51 110.48 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 105.201 -2.148 . . . . 0.0 105.201 173.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.9 122.91 22.41 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 169.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.15 127.4 17.64 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -169.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 48.05 39.55 11.63 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.473 1.109 . . . . 0.0 111.896 -171.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 73.97 16.55 79.44 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-O 118.756 -1.024 . . . . 0.0 114.105 172.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 118.948 1.374 . . . . 0.0 109.616 175.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -91.52 130.23 37.38 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.9 0.88 . . . . 0.0 109.256 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -135.9 128.29 30.29 Favored 'General case' 0 N--CA 1.463 0.215 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -172.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.3 m95 -79.94 129.05 34.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.375 0.534 . . . . 0.0 109.948 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -130.95 157.46 42.89 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 124.512 1.125 . . . . 0.0 108.896 169.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -98.97 159.38 15.0 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 117.841 -1.076 . . . . 0.0 110.64 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.2 ptp85 -43.22 -51.67 5.99 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.768 1.167 . . . . 0.0 113.055 -174.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.3 ppp? -72.4 -20.22 61.47 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.372 0.987 . . . . 0.0 113.409 -174.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -82.44 -23.96 34.55 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.45 1.1 . . . . 0.0 111.343 171.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 93.2 t -92.05 89.19 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.65 144.39 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 N-CA-C 106.024 -1.843 . . . . 0.0 106.024 -174.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.7 mt -96.5 119.2 34.55 Favored 'General case' 0 CA--C 1.506 -0.713 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.46 146.15 16.75 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 171.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -59.06 -34.46 71.99 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -168.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -63.38 -39.28 94.09 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.347 0.976 . . . . 0.0 110.026 174.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -74.89 -46.03 38.78 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.2 -38.26 61.11 Favored Glycine 0 C--N 1.342 0.868 0 N-CA-C 111.877 -0.489 . . . . 0.0 111.877 170.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -62.95 -49.78 73.38 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 121.551 -0.97 . . . . 0.0 110.729 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 55.9 mtt180 -59.58 -9.25 2.43 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 176.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.8 mt -107.16 -28.8 9.74 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 124.294 1.038 . . . . 0.0 108.87 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -54.99 -40.14 69.76 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 125.703 1.601 . . . . 0.0 111.641 176.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.99 -21.91 23.85 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -114.0 -40.03 3.82 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 119.228 0.922 . . . . 0.0 112.269 178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -104.45 -7.82 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -168.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -55.49 135.96 47.5 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.269 -1.132 . . . . 0.0 110.269 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.649 HD22 HD23 ' A' 1534 ' ' LEU . 6.3 mt -64.2 -43.12 96.02 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 118.61 1.205 . . . . 0.0 110.247 176.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.169 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -172.018 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.986 0 N-CA-C 112.321 -0.312 . . . . 0.0 112.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.41 54.49 1.15 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.559 1.544 . . . . 0.0 112.344 -174.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.1 tptp -75.76 162.77 27.91 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.126 -1.609 . . . . 0.0 109.55 172.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 -32.62 124.46 0.34 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.793 1.637 . . . . 0.0 112.069 178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.606 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -104.02 -13.44 16.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 -169.092 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.536 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.5 mtt85 -142.47 167.93 20.93 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 126.854 2.062 . . . . 0.0 107.216 -175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.589 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 168.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.628 ' HB ' HD13 ' B' ' 22' ' ' LEU . 1.7 t -145.4 169.77 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 102.967 -2.975 . . . . 0.0 102.967 168.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.628 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.316 0.0 OUTLIER 47.57 -172.95 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 128.472 2.709 . . . . 0.0 115.277 172.882 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -148.23 160.53 42.86 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.78 -1.2 . . . . 0.0 108.223 169.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -147.1 165.39 30.08 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.295 1.438 . . . . 0.0 108.273 170.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -62.21 -18.79 62.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 118.23 2.678 . . . . 0.0 118.23 -168.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.456 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -85.15 3.12 3.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -169.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.255 1.364 0 C-N-CA 126.38 1.872 . . . . 0.0 109.343 -168.409 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -70.77 -35.53 72.64 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.842 -0.799 . . . . 0.0 111.542 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? -73.69 158.83 33.96 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.804 0.841 . . . . 0.0 110.477 -176.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 62.0 t30 -137.99 35.99 2.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.851 1.261 . . . . 0.0 110.202 -179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 57.3 m 66.16 -66.35 0.17 Allowed 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 127.729 2.412 . . . . 0.0 114.406 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -143.47 -55.12 0.39 Allowed 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 123.951 0.9 . . . . 0.0 108.803 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.4 t -61.96 110.24 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 123.284 0.633 . . . . 0.0 109.514 -172.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.42 25.58 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.058 1.313 . . . . 0.0 113.002 177.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 11.3 mp -73.78 135.09 43.51 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 119.026 1.413 . . . . 0.0 109.154 -178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -76.16 129.54 36.91 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 105.452 -2.055 . . . . 0.0 105.452 168.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.9 m -147.4 -175.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 125.626 1.57 . . . . 0.0 106.952 -173.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -122.3 148.86 25.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 169.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.19 151.46 39.53 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 -172.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.0 tttt -83.27 140.02 32.75 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.529 ' CE3' HH12 ' B' ' 20' ' ' MLY . 36.5 t-105 -85.15 89.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 106.955 -1.498 . . . . 0.0 106.955 170.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 10.5 m -55.32 -30.44 60.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.171 0.989 . . . . 0.0 113.233 -170.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -68.06 -12.36 60.69 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -147.19 -50.31 0.19 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.562 1.073 . . . . 0.0 111.536 170.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 150.79 -179.76 27.22 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -172.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 4.8 m-30 71.32 163.22 0.26 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 127.913 2.485 . . . . 0.0 111.876 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -123.28 125.27 44.75 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.875 1.27 . . . . 0.0 107.807 -169.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -127.1 148.39 50.15 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 124.764 1.226 . . . . 0.0 108.474 -171.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 4.4 m -65.01 150.05 48.77 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.092 0.957 . . . . 0.0 110.483 179.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -172.61 177.31 45.24 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 118.741 0.7 . . . . 0.0 112.041 175.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.38 137.25 52.24 Favored 'General case' 0 CA--C 1.516 -0.338 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 173.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 8.3 mt -69.5 118.83 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 175.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.432 HG23 ' H ' ' A' 1518 ' ' LEU . 40.8 p -85.1 -37.5 20.2 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.08 0.4 . . . . 0.0 110.672 -175.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.91 137.79 1.68 Allowed 'General case' 0 C--N 1.346 0.421 0 C-N-CA 124.529 1.131 . . . . 0.0 109.922 -175.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.8 t70 -69.42 105.59 2.65 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 168.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -60.18 -54.21 38.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.66 164.39 11.23 Favored Glycine 0 C--N 1.334 0.445 0 N-CA-C 108.693 -1.763 . . . . 0.0 108.693 179.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.05 11.25 0.71 Allowed 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.321 1.6 . . . . 0.0 115.321 176.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.98 -10.46 31.87 Favored Glycine 0 C--O 1.224 -0.471 0 C-N-CA 125.492 1.52 . . . . 0.0 110.675 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.14 140.74 43.58 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 120.09 1.945 . . . . 0.0 108.447 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -128.91 133.62 47.95 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 25.4 ttpt -81.82 144.18 31.22 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 175.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -130.47 116.73 18.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.11 0.964 . . . . 0.0 108.463 -169.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.432 ' H ' HG23 ' A' 1507 ' ' THR . 24.3 tp -83.95 94.86 8.36 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 102.924 -2.991 . . . . 0.0 102.924 168.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -56.69 146.5 25.45 Favored 'General case' 0 N--CA 1.441 -0.92 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 173.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -64.82 -28.22 69.41 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -58.28 -15.0 8.52 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.269 2.227 . . . . 0.0 112.154 169.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.27 -6.83 58.1 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.159 1.361 . . . . 0.0 114.036 169.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.426 ' CZ ' ' HG2' ' B' ' 20' ' ' MLY . 26.2 m-85 -82.17 159.63 23.25 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 118.579 1.189 . . . . 0.0 110.244 178.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -137.84 107.95 6.39 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.479 1.112 . . . . 0.0 108.164 174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 73.2 m -142.96 159.63 41.87 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.485 1.114 . . . . 0.0 108.529 178.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.57 145.94 53.53 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 73.1 t -139.14 141.25 36.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 N-CA-C 105.666 -1.976 . . . . 0.0 105.666 170.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.7 mt -76.73 152.39 35.7 Favored 'General case' 0 C--O 1.224 -0.262 0 O-C-N 121.391 -0.818 . . . . 0.0 110.029 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.92 -40.52 73.07 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 123.984 0.802 . . . . 0.0 113.372 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.402 ' H ' ' HD3' ' A' 1530 ' ' LYS 0.274 1.1 pmtp? -68.16 -8.67 40.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.975 -1.309 . . . . 0.0 112.714 179.061 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -107.95 18.35 21.36 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.059 1.344 . . . . 0.0 111.1 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.11 136.04 61.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 106.39 -1.708 . . . . 0.0 106.39 178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.3 mt -121.5 117.33 26.57 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 127.766 2.426 . . . . 0.0 106.024 -169.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.474 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -120.45 3.89 10.74 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -169.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 53.4 m -118.9 41.25 3.08 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.8 5.33 0.04 OUTLIER Pre-proline 0 N--CA 1.447 -0.623 1 N-CA-C 123.855 4.761 . . . . 0.0 123.855 -167.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -53.79 120.06 7.27 Favored 'Trans proline' 0 CA--C 1.542 0.925 0 CA-C-N 125.629 3.046 . . . . 0.0 106.972 168.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -60.1 121.72 61.09 Favored Pre-proline 0 CA--C 1.542 0.654 0 CA-C-O 118.808 -0.615 . . . . 0.0 109.422 -168.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -65.72 142.33 69.74 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 121.85 1.7 . . . . 0.0 110.47 173.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -64.88 148.75 50.82 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.8 t70 77.46 -7.34 1.85 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.491 2.316 . . . . 0.0 113.441 -171.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.2 m -68.35 137.72 54.83 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 120.731 -1.231 . . . . 0.0 108.523 170.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -84.94 141.53 30.31 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 107.187 -1.412 . . . . 0.0 107.187 174.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.62 156.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 C-N-CA 124.726 1.21 . . . . 0.0 108.922 -171.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 47.5 m -90.41 148.36 22.85 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 104.768 -2.308 . . . . 0.0 104.768 169.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.27 139.78 48.38 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 -174.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.586 HD22 HG21 ' B' ' 21' ' ' VAL . 5.8 mp -120.75 127.32 51.88 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 118.845 0.748 . . . . 0.0 110.437 172.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 48.9 m -68.81 165.99 18.54 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 123.952 0.901 . . . . 0.0 111.133 176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.33 -24.54 67.68 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.919 0.888 . . . . 0.0 110.888 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 43.8 t0 -96.6 28.89 3.17 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-O 122.558 1.17 . . . . 0.0 110.577 169.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 65.14 0.11 1.2 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.434 2.294 . . . . 0.0 115.709 171.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -59.82 130.61 47.64 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 120.897 1.681 . . . . 0.0 109.785 -178.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.601 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -97.09 130.35 44.39 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 126.192 1.797 . . . . 0.0 106.546 -173.381 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 1.4 m -150.44 171.45 17.02 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.825 1.65 . . . . 0.0 108.359 -174.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -143.69 149.37 37.11 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 118.677 0.671 . . . . 0.0 110.33 173.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.11 -160.89 18.33 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 108.624 -1.791 . . . . 0.0 108.624 -171.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -130.83 138.89 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 119.081 1.441 . . . . 0.0 109.429 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.5 t -63.57 128.48 25.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.4 mttt -131.31 13.21 5.08 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.856 0.753 . . . . 0.0 112.0 170.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 177.7 -175.38 47.52 Favored Glycine 0 C--N 1.335 0.495 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 173.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.9 m80 -143.12 153.36 42.82 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.935 1.694 . . . . 0.0 110.831 -169.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -145.15 159.32 43.18 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.421 1.488 . . . . 0.0 107.629 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -135.1 132.1 37.72 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 173.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -150.7 128.96 11.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -178.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 19.5 m 43.07 41.59 2.83 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.502 1.521 . . . . 0.0 114.806 169.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 79.64 29.93 46.28 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-O 119.733 -0.482 . . . . 0.0 113.151 175.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -139.01 148.08 42.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 54.2 tp -105.94 133.7 50.24 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.935 1.694 . . . . 0.0 107.161 -177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -124.1 155.51 38.26 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.109 1.363 . . . . 0.0 109.029 -175.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -134.99 130.1 35.2 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.5 p -82.86 103.8 12.61 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 105.973 -1.862 . . . . 0.0 105.973 171.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.76 115.99 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 105.788 -1.93 . . . . 0.0 105.788 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -73.94 123.26 23.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 168.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.31 127.14 17.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 -169.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 47.12 39.33 7.94 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.089 0.956 . . . . 0.0 112.053 -170.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.4 16.58 79.88 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-O 119.159 -0.801 . . . . 0.0 113.946 171.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.87 153.06 49.6 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 118.653 1.226 . . . . 0.0 108.624 174.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -96.7 137.44 35.77 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.372 -0.83 . . . . 0.0 109.903 -169.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -137.59 132.18 32.7 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.4 m95 -79.9 130.29 35.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 118.73 0.695 . . . . 0.0 109.436 178.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -129.81 155.32 46.16 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 124.179 0.992 . . . . 0.0 108.662 171.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -98.97 161.14 13.79 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 117.885 -1.055 . . . . 0.0 110.135 -174.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 16.0 ptt-85 -46.99 -49.85 20.16 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.956 1.253 . . . . 0.0 112.475 -172.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.7 ppp? -74.58 -16.25 60.81 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -172.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -89.24 -22.18 22.86 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 125.192 1.397 . . . . 0.0 111.1 174.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 61.9 t -92.12 89.91 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 N-CA-C 104.821 -2.289 . . . . 0.0 104.821 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -99.43 145.39 10.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 -176.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -97.27 116.51 29.62 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 104.093 -2.558 . . . . 0.0 104.093 -176.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.82 151.78 13.76 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 169.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.33 -29.31 69.81 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -169.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -66.82 -36.65 82.85 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 121.596 -0.69 . . . . 0.0 109.613 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.76 -52.88 15.42 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 124.301 1.04 . . . . 0.0 108.54 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.04 -36.5 56.41 Favored Glycine 0 N--CA 1.47 0.947 0 C-N-CA 124.276 0.941 . . . . 0.0 111.419 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -57.59 -47.28 82.57 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 117.666 0.733 . . . . 0.0 111.445 176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.5 mtt85 -61.47 -24.24 66.43 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 121.73 -0.606 . . . . 0.0 112.33 178.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.2 mp -85.39 -32.4 22.4 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 118.505 0.593 . . . . 0.0 109.775 175.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 60.6 ttp85 -56.28 -40.18 73.87 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 124.515 1.126 . . . . 0.0 111.926 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -63.05 -19.02 63.99 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -113.35 -42.65 3.46 Favored 'General case' 0 C--N 1.345 0.379 0 CA-C-N 119.453 1.024 . . . . 0.0 111.628 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.5 m-30 -101.27 -11.07 19.77 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 124.831 1.253 . . . . 0.0 113.607 -169.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -59.81 132.02 50.92 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 110.326 -1.11 . . . . 0.0 110.326 -178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.474 HD22 HD23 ' A' 1534 ' ' LEU . 1.4 mt -65.63 -49.99 66.66 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 118.831 1.316 . . . . 0.0 109.94 -178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 CA-C-O 117.906 -1.496 . . . . 0.0 110.626 -168.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.11 -175.15 4.95 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 124.551 1.14 . . . . 0.0 108.054 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -72.18 160.47 32.37 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.95 -1.094 . . . . 0.0 110.705 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -25.21 117.01 0.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 127.453 2.301 . . . . 0.0 112.6 171.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.601 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -100.91 -23.42 14.56 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.996 0.919 . . . . 0.0 112.515 -169.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.492 HH11 ' CD2' ' B' ' 18' ' ' HIS . 82.2 mtt85 -142.72 142.65 32.01 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 130.122 3.369 . . . . 0.0 103.404 179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.529 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 N--CA 1.466 0.332 0 CA-C-N 119.204 0.911 . . . . 0.0 110.837 -176.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.586 HG21 HD22 ' A' 1547 ' ' LEU . 1.5 t -152.77 10.15 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.153 0.981 . . . . 0.0 110.631 -176.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.96 165.76 31.42 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 -169.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -148.99 -2.71 0.46 Allowed 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -178.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.3 148.82 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 122.943 0.497 . . . . 0.0 110.066 177.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -149.37 23.84 0.91 Allowed 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.665 0.786 . . . . 0.0 112.002 174.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -92.14 -2.35 10.49 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.487 -169.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.95 2.1 . . . . 0.0 109.166 -168.111 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.891 -0.483 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 44.4 t60 -151.4 162.16 41.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 124.889 1.276 . . . . 0.0 108.57 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? -150.96 146.31 26.16 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.195 1.398 . . . . 0.0 108.201 176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 42.3 t30 -136.68 145.0 44.25 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.076 1.35 . . . . 0.0 107.725 172.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 42.7 m -61.66 111.88 2.02 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 122.523 0.329 . . . . 0.0 110.779 -176.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 63.21 -67.87 0.09 Allowed 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.827 2.451 . . . . 0.0 113.245 174.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.8 t -58.87 110.85 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 109.093 -172.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.13 16.07 Favored Glycine 0 CA--C 1.533 1.16 0 C-N-CA 125.932 1.73 . . . . 0.0 113.072 179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.7 mp -72.92 137.53 45.63 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.164 1.482 . . . . 0.0 110.899 -175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 92.8 mtm-85 -78.57 125.88 29.98 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 105.401 -2.074 . . . . 0.0 105.401 168.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.3 m -143.94 -174.86 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 C-N-CA 125.859 1.664 . . . . 0.0 106.525 -174.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.6 t -119.66 151.18 22.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 104.629 -2.36 . . . . 0.0 104.629 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.413 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -146.86 151.12 36.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 120.905 -1.122 . . . . 0.0 108.717 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 62.5 tttt -82.3 138.29 34.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . . . . . . . . . 45.0 t-105 -89.5 89.74 7.98 Favored 'General case' 0 N--CA 1.436 -1.171 0 N-CA-C 105.925 -1.88 . . . . 0.0 105.925 169.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.5 m -56.6 -28.56 60.63 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.329 1.051 . . . . 0.0 112.567 -171.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.3 m -69.38 -9.21 52.45 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -143.75 -47.35 0.28 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 120.3 1.409 . . . . 0.0 113.836 169.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 158.11 -42.87 0.5 Allowed Glycine 0 C--N 1.345 1.053 0 N-CA-C 118.142 2.017 . . . . 0.0 118.142 173.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -74.28 168.79 18.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 119.316 1.558 . . . . 0.0 112.361 -169.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -106.08 126.61 52.41 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -121.91 147.72 45.66 Favored 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 124.648 1.179 . . . . 0.0 108.37 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 7.2 m -62.9 143.95 57.18 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.469 0.708 . . . . 0.0 110.181 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -169.93 170.9 43.14 Favored Glycine 0 C--N 1.335 0.497 0 O-C-N 121.885 -0.509 . . . . 0.0 112.17 177.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -115.44 132.78 56.52 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 16.0 mt -71.74 114.72 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.1 p -82.0 -38.43 25.09 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 122.097 0.159 . . . . 0.0 110.837 -175.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.18 136.75 1.85 Allowed 'General case' 0 C--N 1.343 0.324 0 C-N-CA 124.275 1.03 . . . . 0.0 109.57 -173.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.5 t70 -70.1 106.1 3.14 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 169.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.04 -53.67 46.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.49 168.17 12.02 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 108.404 -1.878 . . . . 0.0 108.404 177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.76 9.95 0.66 Allowed 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.58 -10.57 28.14 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.294 1.426 . . . . 0.0 111.225 -178.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -79.68 138.71 37.45 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 119.679 1.739 . . . . 0.0 108.487 171.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -129.87 132.56 46.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 104.309 -2.478 . . . . 0.0 104.309 169.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -84.67 143.56 29.14 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -128.96 119.46 24.37 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 -169.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 27.8 tp -83.44 90.53 7.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 102.411 -3.181 . . . . 0.0 102.411 168.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -52.73 149.92 5.72 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -62.82 -16.29 57.68 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 121.934 -0.479 . . . . 0.0 110.898 176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . 0.272 1.1 m-20 -61.38 -25.75 67.38 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 124.147 0.979 . . . . 0.0 112.053 173.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.02 -5.71 63.65 Favored Glycine 0 CA--C 1.542 1.748 0 C-N-CA 124.828 1.204 . . . . 0.0 111.945 -168.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -66.65 151.99 46.26 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.426 1.613 . . . . 0.0 108.722 170.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -141.86 107.67 5.13 Favored 'General case' 0 C--O 1.238 0.465 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 29.2 m -144.3 156.26 44.19 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.916 0.886 . . . . 0.0 108.992 -177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.94 146.26 52.93 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 123.661 0.784 . . . . 0.0 110.079 172.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.9 t -143.35 144.79 23.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 N-CA-C 106.214 -1.772 . . . . 0.0 106.214 171.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -85.54 154.02 22.04 Favored 'General case' 0 N--CA 1.461 0.096 0 O-C-N 121.622 -0.673 . . . . 0.0 110.91 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -50.75 -40.99 42.47 Favored Glycine 0 C--N 1.339 0.698 0 C-N-CA 125.369 1.461 . . . . 0.0 114.202 -170.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -40.28 86.51 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 118.834 1.317 . . . . 0.0 109.451 -177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -85.31 18.7 2.54 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 124.95 1.3 . . . . 0.0 112.905 -172.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.413 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -123.81 124.23 68.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 175.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 6.3 mp -112.14 111.57 22.57 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.9 2.08 . . . . 0.0 105.542 -169.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.493 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -112.31 -2.22 14.89 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -169.106 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 51.9 m -118.47 46.53 1.8 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 44.9 t0 -117.95 50.99 1.18 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 119.159 3.022 . . . . 0.0 119.159 -167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.12 126.06 13.26 Favored 'Trans proline' 0 CA--C 1.545 1.061 1 N-CA-C 101.085 -4.237 . . . . 0.0 101.085 165.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.0 mm -58.53 121.25 51.63 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 119.728 1.149 . . . . 0.0 110.402 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -67.59 141.07 53.91 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.951 1.767 . . . . 0.0 110.187 174.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.471 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -66.05 147.07 53.91 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.325 -1.307 . . . . 0.0 107.889 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 80.77 -9.11 1.38 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 128.076 2.551 . . . . 0.0 113.33 -171.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 25.8 m -68.98 134.89 50.11 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 120.752 -1.217 . . . . 0.0 108.534 173.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -73.34 139.07 45.77 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.6 m -147.0 157.79 10.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 124.424 1.09 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 19.5 m -90.94 147.57 23.03 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 105.596 -2.001 . . . . 0.0 105.596 169.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.13 140.19 50.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.649 1.58 . . . . 0.0 107.32 -177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.564 HD22 HG21 ' B' ' 21' ' ' VAL . 6.2 mp -122.4 132.77 54.53 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 118.372 0.533 . . . . 0.0 110.674 171.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 46.4 m -70.13 165.34 22.22 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 123.61 0.764 . . . . 0.0 109.968 172.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -68.22 -23.77 64.85 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.768 -0.582 . . . . 0.0 110.297 177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.4 t0 -90.13 24.56 2.45 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 122.624 1.202 . . . . 0.0 110.54 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 66.4 -1.52 1.22 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 127.642 2.377 . . . . 0.0 116.337 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -60.06 136.0 57.89 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 121.371 1.896 . . . . 0.0 109.396 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.627 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -109.16 138.28 45.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.361 1.864 . . . . 0.0 107.319 -169.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 69.2 m -151.13 174.71 12.9 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.584 1.154 . . . . 0.0 109.081 170.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.51 148.94 51.47 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 118.761 0.71 . . . . 0.0 109.381 169.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -167.64 -160.09 14.46 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 108.272 -1.931 . . . . 0.0 108.272 -170.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.82 139.09 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 118.955 1.377 . . . . 0.0 109.771 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 71.3 t -64.19 130.82 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 171.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -132.9 12.21 4.33 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 119.131 0.878 . . . . 0.0 112.03 169.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 179.67 -174.6 46.22 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 172.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.6 m80 -143.52 153.59 42.75 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 126.505 1.922 . . . . 0.0 109.281 -169.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -143.32 155.79 44.54 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 169.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -126.63 128.45 46.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 105.911 -1.885 . . . . 0.0 105.911 169.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -143.11 131.43 22.11 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.2 m 49.87 31.43 4.6 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.997 0.919 . . . . 0.0 113.354 -177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.19 32.44 72.57 Favored Glycine 0 CA--C 1.533 1.209 0 CA-C-O 119.413 -0.659 . . . . 0.0 112.483 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -133.82 149.3 51.39 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.141 1.376 . . . . 0.0 107.403 -176.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 3.3 mt -92.65 140.03 29.95 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 123.908 0.883 . . . . 0.0 112.507 -169.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.2 154.94 51.43 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.637 1.575 . . . . 0.0 109.375 176.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -132.27 134.54 45.39 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.3 p -85.33 106.97 17.11 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 106.012 -1.848 . . . . 0.0 106.012 169.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.9 mm -91.35 117.38 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 105.436 -2.061 . . . . 0.0 105.436 176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -77.15 134.46 38.67 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 169.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -144.3 142.64 30.55 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 170.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 51.03 32.43 7.6 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.188 0.995 . . . . 0.0 112.43 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 71.07 20.15 77.71 Favored Glycine 0 CA--C 1.532 1.138 0 CA-C-O 119.23 -0.761 . . . . 0.0 113.374 176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -135.02 149.97 50.24 Favored 'General case' 0 C--N 1.342 0.251 0 CA-C-N 118.516 1.158 . . . . 0.0 108.184 173.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 70.9 mtm-85 -102.87 136.77 42.08 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -169.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -135.03 128.96 33.32 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 106.58 -1.637 . . . . 0.0 106.58 -169.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.1 m95 -79.73 131.28 35.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 118.557 0.617 . . . . 0.0 109.564 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -132.73 155.83 48.15 Favored 'General case' 0 C--N 1.333 -0.152 0 C-N-CA 124.399 1.08 . . . . 0.0 109.431 171.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -93.67 158.83 15.49 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.333 -174.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -44.94 -50.86 10.28 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 120.129 1.331 . . . . 0.0 113.171 -176.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 21.8 ptm -70.96 -23.58 62.24 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 119.163 0.892 . . . . 0.0 112.825 -174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -76.28 -25.87 55.34 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.156 0.582 . . . . 0.0 110.536 176.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 59.5 t -91.75 90.55 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 -178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.5 pt -98.85 146.56 8.13 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 N-CA-C 106.724 -1.584 . . . . 0.0 106.724 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.1 mt -97.03 115.0 26.68 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 -175.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.71 143.97 23.56 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.24 -35.24 69.46 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -167.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -67.47 -35.54 79.38 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.766 1.166 . . . . 0.0 109.855 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.4 mm-40 -74.73 -48.71 24.29 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 -176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.72 -29.57 74.28 Favored Glycine 0 CA--C 1.525 0.716 0 O-C-N 121.72 -0.612 . . . . 0.0 112.089 178.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -59.12 -47.03 86.78 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-N 119.086 1.443 . . . . 0.0 110.413 176.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 21.3 mtt-85 -62.19 -17.7 58.86 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.75 0.82 . . . . 0.0 112.541 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 4.3 mp -97.46 -28.64 13.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.663 1.185 . . . . 0.0 109.666 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -57.81 -39.57 77.9 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 124.914 1.286 . . . . 0.0 110.663 -178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -60.82 -18.02 53.08 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 179.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.86 -43.95 3.53 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-N 119.516 1.053 . . . . 0.0 111.532 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.6 m-30 -94.33 -20.28 19.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 118.171 -0.919 . . . . 0.0 112.933 -169.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -45.51 133.66 8.8 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.853 1.216 . . . . 0.0 111.105 173.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.493 HD22 HD23 ' A' 1534 ' ' LEU . 3.0 mt -64.16 -40.39 96.03 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.307 1.053 . . . . 0.0 110.368 176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.306 0 N-CA-C 109.853 -1.299 . . . . 0.0 109.853 -172.236 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 CA-C-O 120.022 -0.321 . . . . 0.0 112.619 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -133.02 34.64 3.58 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.443 1.097 . . . . 0.0 111.458 -169.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -69.31 157.08 37.7 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 120.276 -1.515 . . . . 0.0 111.174 174.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 47.8 ttp85 -23.24 113.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.993 2.517 . . . . 0.0 112.468 169.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.627 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.5 OUTLIER -96.28 -24.19 16.32 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.767 1.227 . . . . 0.0 112.872 -169.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.555 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -144.8 142.51 30.03 Favored 'General case' 0 C--O 1.233 0.224 0 C-N-CA 129.545 3.138 . . . . 0.0 102.831 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.358 0 CA-C-N 119.012 0.824 . . . . 0.0 110.699 -171.704 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' 1547 ' ' LEU . 0.6 OUTLIER -148.99 7.48 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 CA-C-O 121.757 0.789 . . . . 0.0 111.64 -179.159 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -161.91 170.24 19.77 Favored 'General case' 0 N--CA 1.445 -0.702 0 O-C-N 121.031 -1.043 . . . . 0.0 108.528 -169.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.96 -26.85 2.59 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 118.562 -0.732 . . . . 0.0 111.681 169.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . 0.259 26.5 t0 62.62 164.78 0.11 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.154 1.782 . . . . 0.0 112.805 -172.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -66.24 -7.68 19.96 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 117.576 2.436 . . . . 0.0 117.576 -168.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.25 0.08 4.41 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -172.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 126.05 1.74 . . . . 0.0 108.86 -168.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -68.72 -28.72 67.08 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 117.546 0.673 . . . . 0.0 111.877 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 73.0 mtm -138.99 159.35 42.36 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 125.268 1.427 . . . . 0.0 109.055 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -74.35 156.22 37.33 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 123.471 0.709 . . . . 0.0 111.253 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 43.9 m -47.1 110.99 0.35 Allowed 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.506 1.522 . . . . 0.0 110.74 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.7 m-85 64.63 -59.07 0.23 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 127.057 2.143 . . . . 0.0 112.845 -176.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 9.4 t -60.88 111.21 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 125.089 1.356 . . . . 0.0 110.336 -173.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 115.13 -22.79 11.97 Favored Glycine 0 CA--C 1.532 1.125 0 C-N-CA 125.721 1.629 . . . . 0.0 112.394 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.6 mp -68.67 136.57 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 118.447 1.124 . . . . 0.0 110.2 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.1 124.69 28.54 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 105.323 -2.103 . . . . 0.0 105.323 168.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.4 m -141.48 -175.94 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 125.739 1.615 . . . . 0.0 107.24 -173.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.8 t -119.84 145.72 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 169.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -144.52 150.59 37.81 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -170.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.9 tttt -83.14 139.65 33.06 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.733 ' CE3' HH12 ' B' ' 20' ' ' MLY . 37.4 t-105 -83.55 90.86 7.3 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 169.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 11.2 m -57.24 -28.37 62.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -170.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.3 m -69.77 -11.33 60.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -174.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -146.19 -50.96 0.23 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.605 1.093 . . . . 0.0 111.209 170.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 149.28 178.32 24.18 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -172.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 7.0 m-30 72.63 160.93 0.24 Allowed 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 128.183 2.593 . . . . 0.0 111.856 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -120.05 128.0 53.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 124.827 1.251 . . . . 0.0 107.865 -169.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -132.03 151.05 51.98 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.014 0.926 . . . . 0.0 108.515 -170.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.6 m -64.66 142.0 58.58 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 123.553 0.741 . . . . 0.0 109.952 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -165.61 165.5 37.97 Favored Glycine 0 C--N 1.332 0.349 0 N-CA-C 111.88 -0.488 . . . . 0.0 111.88 173.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -105.08 131.68 52.27 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.201 -1.407 . . . . 0.0 107.201 177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.0 mt -68.85 118.69 13.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 51.1 p -84.68 -33.11 23.25 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 -178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.8 ttt-85 -173.03 141.18 0.95 Allowed 'General case' 0 C--N 1.347 0.478 0 C-N-CA 123.13 0.572 . . . . 0.0 111.433 -169.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.68 113.19 9.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 102.778 -3.045 . . . . 0.0 102.778 166.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 5.0 t -64.76 -53.37 42.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.87 163.57 10.77 Favored Glycine 0 C--N 1.337 0.59 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.86 10.37 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 176.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 108.83 -9.0 34.27 Favored Glycine 0 C--N 1.337 0.586 0 C-N-CA 125.399 1.476 . . . . 0.0 110.906 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.96 140.49 43.72 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 120.002 1.901 . . . . 0.0 107.986 170.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -127.63 133.25 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 169.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -82.79 143.09 31.07 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.82 117.94 21.0 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.256 1.022 . . . . 0.0 108.396 -169.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 36.1 tp -83.85 90.81 7.42 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 168.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -54.96 152.94 6.84 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.169 -0.923 . . . . 0.0 108.82 173.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -70.06 -15.91 63.07 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.594 -0.691 . . . . 0.0 112.041 -174.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 41.7 p30 -77.34 -4.99 47.91 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.447 1.499 . . . . 0.0 113.091 169.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.05 -5.04 81.74 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.444 -1.198 . . . . 0.0 113.398 178.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.516 ' CB ' HH13 ' B' ' 20' ' ' MLY . 30.5 m-85 -65.54 154.3 39.04 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.424 1.612 . . . . 0.0 109.948 169.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -143.41 117.9 9.72 Favored 'General case' 0 C--O 1.232 0.176 0 C-N-CA 124.476 1.11 . . . . 0.0 108.133 177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 66.1 m -148.57 163.76 36.27 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.064 1.346 . . . . 0.0 108.145 173.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.59 147.96 48.67 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.848 0.859 . . . . 0.0 109.825 169.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 81.9 t -140.46 138.24 36.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 172.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 1.8 mt -75.49 151.63 37.97 Favored 'General case' 0 C--O 1.223 -0.325 0 O-C-N 121.437 -0.789 . . . . 0.0 109.958 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -56.13 -38.42 76.67 Favored Glycine 0 CA--C 1.522 0.505 0 C-N-CA 124.074 0.845 . . . . 0.0 113.807 -172.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -20.27 64.34 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.459 -1.024 . . . . 0.0 112.377 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -100.26 17.8 20.41 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.686 1.195 . . . . 0.0 111.573 -174.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 135.67 62.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.265 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 53.9 mt -119.96 113.56 20.72 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 128.231 2.612 . . . . 0.0 104.366 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.538 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -108.49 -2.5 18.92 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.453 2.02 . . . . 0.0 116.453 -168.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.1 p -135.5 52.89 1.99 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 105.585 -2.006 . . . . 0.0 105.585 -177.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 48.3 t0 -117.12 59.14 2.29 Favored Pre-proline 0 C--O 1.237 0.435 0 N-CA-C 117.072 2.249 . . . . 0.0 117.072 -167.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.5 123.23 9.67 Favored 'Trans proline' 0 CA--C 1.544 1.009 1 N-CA-C 101.545 -4.059 . . . . 0.0 101.545 166.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.5 mm -58.4 120.77 47.18 Favored Pre-proline 0 CA--C 1.542 0.642 0 CA-C-N 119.304 0.957 . . . . 0.0 109.398 -168.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -66.2 142.18 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 121.51 1.473 . . . . 0.0 110.392 176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.526 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -65.4 145.31 56.32 Favored 'General case' 0 N--CA 1.444 -0.769 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 -179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 23.1 t70 81.66 -9.37 1.25 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.304 2.641 . . . . 0.0 113.134 -171.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.0 m -67.72 135.38 52.63 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.003 -1.061 . . . . 0.0 108.281 171.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -75.74 141.58 42.6 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 171.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.0 m -147.96 156.7 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 124.176 0.99 . . . . 0.0 108.607 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 23.5 m -90.36 148.78 22.62 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.983 -1.858 . . . . 0.0 105.983 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.02 134.39 44.35 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.7 mm? -120.21 116.57 25.88 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 -178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 34.9 m -65.11 158.21 26.49 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.138 0.575 . . . . 0.0 109.808 170.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -69.01 -24.9 64.26 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.986 -0.446 . . . . 0.0 110.521 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.97 32.26 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.992 0.901 . . . . 0.0 110.521 169.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.409 0.4 OUTLIER 45.02 36.68 2.07 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.674 2.79 . . . . 0.0 116.396 173.141 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . 0.464 ' CZ ' ' HE2' ' B' ' 16' ' ' LYS . 39.5 m-85 -86.59 144.04 27.38 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 167.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -122.31 124.64 44.21 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 128.525 2.73 . . . . 0.0 106.141 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 14.9 m -149.76 172.95 14.29 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 124.282 1.033 . . . . 0.0 108.805 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.46 155.19 45.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 118.624 0.647 . . . . 0.0 110.262 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.06 -161.41 19.31 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 107.76 -2.136 . . . . 0.0 107.76 -173.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.7 t -131.53 139.49 50.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 118.417 1.108 . . . . 0.0 109.748 -172.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 59.8 t -63.1 125.69 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.9 mttt -134.48 28.16 3.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.079 0.854 . . . . 0.0 111.032 170.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 167.64 -177.09 42.17 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 169.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.6 m80 -143.68 153.48 42.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 125.96 1.704 . . . . 0.0 110.096 -170.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -146.64 160.61 41.97 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 125.079 1.352 . . . . 0.0 107.894 170.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.88 131.36 49.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 105.961 -1.866 . . . . 0.0 105.961 169.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -150.91 136.98 18.32 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.0 m 48.99 31.75 3.47 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 67.83 35.75 85.61 Favored Glycine 0 CA--C 1.533 1.215 0 O-C-N 121.398 -0.814 . . . . 0.0 112.136 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -137.13 151.53 48.94 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 105.645 -1.983 . . . . 0.0 105.645 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.27 141.13 28.77 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 124.1 0.96 . . . . 0.0 108.897 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -130.69 152.37 50.12 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 124.338 1.055 . . . . 0.0 108.856 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -134.24 129.73 36.11 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -82.48 100.39 10.04 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 171.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.81 108.33 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.517 -2.401 . . . . 0.0 104.517 178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -70.26 129.67 39.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 106.241 -1.763 . . . . 0.0 106.241 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -143.76 135.87 26.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 105.831 -1.915 . . . . 0.0 105.831 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 52.85 31.86 11.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.176 0.991 . . . . 0.0 112.566 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 86.09 12.23 71.33 Favored Glycine 0 CA--C 1.53 0.973 0 CA-C-O 118.876 -0.958 . . . . 0.0 113.101 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -141.52 147.47 37.82 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 118.783 1.291 . . . . 0.0 110.106 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 75.6 mtt85 -80.38 141.84 34.98 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -135.46 129.83 33.78 Favored 'General case' 0 C--O 1.226 -0.165 0 N-CA-C 105.957 -1.868 . . . . 0.0 105.957 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.1 m95 -79.49 132.21 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.964 0.802 . . . . 0.0 109.766 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -133.82 158.15 44.1 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.534 1.134 . . . . 0.0 108.909 170.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 54.1 pttt -101.17 159.47 15.21 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.103 -0.951 . . . . 0.0 110.304 -174.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -49.04 -48.71 43.66 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.772 1.169 . . . . 0.0 112.38 -169.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -70.13 -20.21 63.18 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 118.679 0.672 . . . . 0.0 112.116 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.77 -17.65 35.2 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.821 1.248 . . . . 0.0 111.154 176.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 86.4 t -99.92 92.0 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 N-CA-C 105.224 -2.139 . . . . 0.0 105.224 -177.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 8.6 pt -103.77 142.47 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -171.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 6.0 mt -96.9 118.48 33.42 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 105.02 -2.215 . . . . 0.0 105.02 -172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.92 152.34 16.35 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . 0.253 2.0 pp -57.76 -36.81 72.62 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.699 1.74 . . . . 0.0 115.699 -168.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -70.22 -30.52 67.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.896 1.226 . . . . 0.0 110.142 177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -68.63 -52.21 33.84 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.45 -39.61 60.07 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -57.23 -47.93 80.1 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.992 -0.71 . . . . 0.0 111.065 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.8 mtt-85 -62.74 -22.29 66.44 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 118.59 -0.719 . . . . 0.0 111.997 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.6 mm? -86.71 -28.45 23.09 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 119.222 0.919 . . . . 0.0 111.415 172.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -53.6 -41.83 67.03 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.209 1.003 . . . . 0.0 111.419 -175.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.18 -19.34 61.47 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -113.71 -43.28 3.31 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.411 1.005 . . . . 0.0 111.38 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -102.98 -9.37 19.86 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.941 1.296 . . . . 0.0 113.998 -169.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -61.35 133.15 48.22 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.538 HD22 HD23 ' A' 1534 ' ' LEU . 0.8 OUTLIER -64.79 -48.73 73.38 Favored 'General case' 0 C--N 1.343 0.291 0 CA-C-N 118.335 1.068 . . . . 0.0 109.298 177.339 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.611 -169.307 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 N-CA-C 112.078 -0.409 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 58.29 13.69 2.5 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 126.659 1.983 . . . . 0.0 115.37 -179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.464 ' HE2' ' CZ ' ' A' 1552 ' ' TYR . 57.7 mmtt -86.09 158.75 19.73 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 120.086 -1.634 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttp180 -38.59 95.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 128.317 2.647 . . . . 0.0 113.653 -174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -48.06 -28.78 3.04 Favored 'General case' 0 CA--C 1.546 0.795 1 C-N-CA 132.989 4.516 . . . . 0.0 120.747 170.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -147.99 171.72 15.36 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 127.418 2.287 . . . . 0.0 106.593 -168.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.733 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.521 -0.135 0 CA-C-N 120.514 1.506 . . . . 0.0 107.063 168.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.406 ' HB ' HD13 ' B' ' 22' ' ' LEU . 3.2 t -147.37 -131.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 172.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -25.27 154.61 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 128.731 2.812 . . . . 0.0 116.951 169.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -154.22 168.03 27.93 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 120.919 -1.113 . . . . 0.0 109.269 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -146.01 171.91 14.17 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.045 1.738 . . . . 0.0 107.164 169.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -60.98 -23.2 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 -169.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.416 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -93.34 13.39 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 123.138 0.575 . . . . 0.0 112.031 -169.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 . . . . . 0 C--O 1.249 1.027 0 C-N-CA 125.635 1.574 . . . . 0.0 108.084 -169.049 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -142.6 164.31 30.46 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 124.81 1.244 . . . . 0.0 109.412 -171.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 91.8 mtp -140.76 176.78 8.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.406 1.482 . . . . 0.0 108.907 179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -131.3 152.6 50.4 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.24 1.416 . . . . 0.0 108.903 179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 20.0 m -65.83 110.95 3.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.276 0.631 . . . . 0.0 110.357 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 82.3 m-85 62.35 -65.71 0.08 Allowed 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 127.816 2.446 . . . . 0.0 114.069 173.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 17.1 t -60.79 112.45 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 C-N-CA 124.652 1.181 . . . . 0.0 109.237 -171.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 114.0 -18.52 18.92 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 125.565 1.555 . . . . 0.0 112.807 178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 7.8 mp -74.9 135.23 41.49 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.686 1.243 . . . . 0.0 109.613 -175.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -76.36 127.41 32.81 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 168.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 31.5 m -147.58 -169.73 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -172.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 6.4 t -127.54 144.98 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 105.8 -1.926 . . . . 0.0 105.8 171.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.617 ' HB2' HD22 ' A' 1517 ' ' LEU . . . -129.08 154.66 46.47 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 124.653 1.181 . . . . 0.0 108.494 175.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.4 tttt -83.66 134.04 34.8 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 106.073 -1.825 . . . . 0.0 106.073 170.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.557 ' CD2' ' HE2' ' B' ' 20' ' ' MLY . 48.0 t-105 -73.2 112.34 9.16 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 169.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 6.1 m -54.62 -28.56 47.54 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 114.987 1.477 . . . . 0.0 114.987 -169.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 19.5 m -76.35 67.82 2.63 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.776 1.231 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 1.5 p-10 45.87 36.38 2.85 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.254 2.222 . . . . 0.0 113.503 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -99.36 -179.85 31.02 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-O 122.626 1.126 . . . . 0.0 113.858 -170.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 21.6 m-30 -81.88 -173.21 4.34 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 113.745 -1.228 . . . . 0.0 110.796 169.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.39 116.12 31.96 Favored 'General case' 0 N--CA 1.441 -0.915 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -113.18 146.54 39.09 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 27.1 m -66.64 149.86 49.88 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 122.769 0.428 . . . . 0.0 110.307 178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.58 -178.79 41.54 Favored Glycine 0 C--N 1.333 0.387 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.79 140.61 52.82 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 174.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 7.8 mt -69.54 118.96 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.357 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.446 HG23 ' H ' ' A' 1518 ' ' LEU . 37.5 p -87.1 -32.69 19.78 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -177.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.8 ttt-85 -170.8 141.75 1.84 Allowed 'General case' 0 C--N 1.349 0.587 0 C-N-CA 123.257 0.623 . . . . 0.0 111.004 -173.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.3 112.6 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 102.654 -3.091 . . . . 0.0 102.654 167.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -66.89 -52.95 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 144.8 165.81 11.29 Favored Glycine 0 C--N 1.335 0.518 0 N-CA-C 108.612 -1.795 . . . . 0.0 108.612 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.73 10.31 0.71 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 174.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.81 -9.26 32.07 Favored Glycine 0 C--N 1.335 0.518 0 C-N-CA 125.183 1.373 . . . . 0.0 111.261 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -77.77 138.47 39.02 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 119.396 1.598 . . . . 0.0 108.506 169.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -129.82 132.19 46.41 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 104.408 -2.441 . . . . 0.0 104.408 169.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -89.26 144.92 25.74 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' 1493 ' ' ALA . 5.1 mp -136.28 129.82 32.05 Favored 'General case' 0 CA--C 1.504 -0.824 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -172.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.446 ' H ' HG23 ' A' 1507 ' ' THR . 36.6 tp -83.77 94.75 8.24 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 103.415 -2.809 . . . . 0.0 103.415 168.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -59.07 153.26 18.24 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -65.08 -17.67 64.65 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.791 -0.568 . . . . 0.0 111.619 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -87.61 8.74 23.88 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.062 1.345 . . . . 0.0 113.835 174.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 86.59 2.98 84.35 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.401 -0.666 . . . . 0.0 113.571 169.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -74.65 149.54 39.94 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.654 1.227 . . . . 0.0 108.565 169.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -140.09 106.46 5.28 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 174.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 61.6 m -144.18 157.5 44.27 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 124.582 1.153 . . . . 0.0 108.248 -178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -70.45 144.75 51.36 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 123.885 0.874 . . . . 0.0 109.864 171.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 43.8 t -141.39 146.64 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 105.98 -1.859 . . . . 0.0 105.98 170.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 tp -85.14 154.73 21.83 Favored 'General case' 0 C--O 1.224 -0.239 0 O-C-N 121.209 -0.932 . . . . 0.0 110.825 -178.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.77 -35.75 58.5 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 124.821 1.2 . . . . 0.0 114.669 -169.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -40.31 93.03 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.04 1.42 . . . . 0.0 109.121 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -79.63 14.72 1.56 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.736 1.214 . . . . 0.0 112.88 -174.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.47 134.41 66.41 Favored 'Isoleucine or valine' 0 C--N 1.345 0.397 0 CA-C-N 120.47 1.487 . . . . 0.0 107.009 179.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 69.5 mt -119.55 118.61 31.5 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 127.288 2.235 . . . . 0.0 106.232 -171.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.463 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -119.75 1.96 11.08 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.089 1.514 . . . . 0.0 115.089 -170.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 59.4 m -118.28 43.88 2.36 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 105.187 -2.153 . . . . 0.0 105.187 171.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -87.24 6.0 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.394 1 N-CA-C 122.349 4.203 . . . . 0.0 122.349 -167.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -54.96 118.19 4.87 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 CA-C-N 125.807 3.11 . . . . 0.0 106.755 168.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.8 mm -60.19 123.37 72.56 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 118.513 -0.756 . . . . 0.0 109.557 -168.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -67.27 143.16 63.21 Favored 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 121.542 1.495 . . . . 0.0 110.37 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.505 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -64.39 148.92 49.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 114.48 -1.236 . . . . 0.0 107.99 -179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.5 t70 77.56 -6.95 1.91 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.635 2.374 . . . . 0.0 113.314 -172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 30.5 m -69.07 136.5 52.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 120.907 -1.121 . . . . 0.0 108.4 170.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -78.41 142.54 37.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 171.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 158.06 7.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 C-N-CA 124.427 1.091 . . . . 0.0 108.478 -178.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 22.0 m -90.03 146.71 24.15 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 169.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.56 135.22 45.8 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.522 1.529 . . . . 0.0 107.526 -176.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.51 117.28 27.24 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 124.113 0.965 . . . . 0.0 109.266 -176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.3 m -69.23 159.44 33.04 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 122.957 0.503 . . . . 0.0 110.754 174.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -68.02 -23.42 64.99 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 122.591 0.356 . . . . 0.0 110.561 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 26.1 t0 -89.89 26.61 1.77 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.426 1.091 . . . . 0.0 110.989 171.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.28 13.3 pt-20 50.11 39.96 20.57 Favored 'General case' 0 C--N 1.341 0.211 0 C-N-CA 128.803 2.841 . . . . 0.0 116.843 173.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -94.03 143.08 26.67 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 168.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.548 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -114.84 129.75 56.75 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 126.535 1.934 . . . . 0.0 106.657 -171.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 20.2 m -150.06 174.5 12.67 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.739 0.815 . . . . 0.0 109.121 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -128.51 151.35 49.53 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.165 -0.679 . . . . 0.0 109.165 169.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.95 -164.57 22.83 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 107.718 -2.153 . . . . 0.0 107.718 -172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.0 137.63 55.39 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.372 0 CA-C-N 118.733 1.266 . . . . 0.0 109.432 -170.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 67.3 t -61.92 126.58 20.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 87.2 mttt -131.18 15.99 5.09 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.015 0.825 . . . . 0.0 111.789 170.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 176.71 -174.64 47.18 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 170.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.9 m80 -142.6 153.55 43.6 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 126.51 1.924 . . . . 0.0 109.789 -170.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -146.66 158.36 43.89 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 171.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -127.65 127.33 43.59 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 105.563 -2.014 . . . . 0.0 105.563 170.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -150.1 137.26 19.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 -175.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 25.0 m 50.13 30.23 4.1 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.35 1.06 . . . . 0.0 113.576 -179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.95 32.57 81.3 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.815 -0.553 . . . . 0.0 112.33 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -136.63 149.84 48.21 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 126.109 1.764 . . . . 0.0 106.756 -177.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 40.1 tp -98.41 136.51 38.45 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.385 0.674 . . . . 0.0 109.848 -169.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -128.14 155.37 44.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.343 1.457 . . . . 0.0 109.41 -176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -133.91 132.83 40.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 106.087 -1.82 . . . . 0.0 106.087 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -84.66 101.24 12.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.625 -1.991 . . . . 0.0 105.625 170.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 23.7 mm -85.59 112.56 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 104.677 -2.342 . . . . 0.0 104.677 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.04 133.79 44.36 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 169.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 22.4 ttpt -143.76 143.94 31.6 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 50.33 31.6 5.47 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.666 1.186 . . . . 0.0 113.267 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.95 16.56 78.74 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-O 118.737 -1.035 . . . . 0.0 112.962 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -138.28 146.06 42.04 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.887 1.343 . . . . 0.0 109.821 176.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.39 140.71 32.23 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -135.1 129.24 33.63 Favored 'General case' 0 C--O 1.226 -0.176 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 88.5 m95 -79.78 133.85 36.33 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.703 0.683 . . . . 0.0 110.023 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -135.54 158.15 45.11 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.978 1.311 . . . . 0.0 109.209 171.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 9.4 ptpt -101.69 160.0 14.83 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.773 -175.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.15 -45.85 53.54 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.081 1.309 . . . . 0.0 113.603 -171.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.66 -20.72 61.91 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 119.054 0.843 . . . . 0.0 113.055 -178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.51 -18.83 32.33 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.367 1.067 . . . . 0.0 111.307 174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 96.8 t -96.17 91.2 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.3 pt -99.21 143.56 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -175.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 1.9 mt -95.66 115.3 27.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 -172.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.76 142.73 33.5 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 173.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.3 pp -57.89 -34.88 70.27 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.903 1.446 . . . . 0.0 114.903 -168.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -63.18 -34.58 77.94 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.034 0.833 . . . . 0.0 110.644 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -81.62 -51.29 8.37 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.37 -32.19 51.68 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 124.787 1.184 . . . . 0.0 111.593 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -57.37 -48.91 77.81 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.912 0.856 . . . . 0.0 111.526 175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.12 -8.33 54.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.474 1.034 . . . . 0.0 112.533 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.6 mp -88.24 -32.03 18.75 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -55.05 -40.7 70.58 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.962 1.255 . . . . 0.0 112.327 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -61.17 -18.47 58.35 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 118.22 -0.895 . . . . 0.0 113.296 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -113.4 -43.48 3.34 Favored 'General case' 0 C--N 1.346 0.446 0 CA-C-N 119.691 1.132 . . . . 0.0 111.386 178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -100.06 -10.49 21.48 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.188 1.395 . . . . 0.0 113.666 -169.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.87 136.99 50.31 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.159 -1.176 . . . . 0.0 110.159 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.463 HD22 HD23 ' A' 1534 ' ' LEU . 1.0 OUTLIER -66.84 -45.44 78.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 118.574 1.187 . . . . 0.0 109.001 174.479 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.325 0 N-CA-C 108.756 -1.738 . . . . 0.0 108.756 -178.239 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.92 44.08 0.37 Allowed 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.572 1.549 . . . . 0.0 113.852 -171.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -74.1 157.75 35.47 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 120.116 -1.615 . . . . 0.0 111.635 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.407 ' CZ ' HD12 ' B' ' 22' ' ' LEU . 24.3 ttp180 -33.53 106.94 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.107 2.963 . . . . 0.0 108.362 173.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.548 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.7 OUTLIER -92.75 -24.8 18.45 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 117.445 2.387 . . . . 0.0 117.445 -166.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.525 HH11 ' CD2' ' B' ' 18' ' ' HIS . 78.9 mtt85 -127.43 165.31 20.05 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 129.359 3.063 . . . . 0.0 104.501 176.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.557 ' HE2' ' CD2' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.225 -0.209 0 CA-C-O 121.814 0.816 . . . . 0.0 109.317 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.549 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.4 OUTLIER -174.27 13.1 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 C-N-CA 129.638 3.175 . . . . 0.0 108.375 -171.312 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.549 HD13 ' H ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -158.23 159.82 36.47 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -168.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -151.59 154.57 36.71 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.351 0.523 . . . . 0.0 110.145 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -146.48 173.1 12.6 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.089 2.155 . . . . 0.0 106.332 171.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -55.32 -22.22 18.11 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 117.321 2.341 . . . . 0.0 117.321 -168.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.424 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.1 OUTLIER -90.85 7.11 4.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 C-N-CA 122.892 0.477 . . . . 0.0 112.248 -170.078 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.291 1.436 . . . . 0.0 108.413 -168.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.809 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -69.22 -26.79 64.98 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.602 -0.94 . . . . 0.0 112.032 -178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 62.5 mtt -134.0 166.0 23.73 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.891 1.276 . . . . 0.0 109.674 -172.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 38.1 t30 -149.45 154.97 39.66 Favored 'General case' 0 C--O 1.23 0.064 0 C-N-CA 125.839 1.656 . . . . 0.0 107.895 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.6 m -59.67 98.93 0.05 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.775 1.23 . . . . 0.0 110.827 177.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 79.0 m-85 64.43 -63.49 0.16 Allowed 'General case' 0 C--O 1.225 -0.198 0 C-N-CA 128.284 2.634 . . . . 0.0 113.472 175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 10.5 t -64.76 119.32 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -171.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 109.09 -25.0 19.85 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.629 1.585 . . . . 0.0 112.618 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.79 132.26 46.5 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 118.532 1.166 . . . . 0.0 111.484 -175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 94.1 mtm-85 -76.34 132.15 39.6 Favored 'General case' 0 CA--C 1.521 -0.172 0 N-CA-C 106.095 -1.817 . . . . 0.0 106.095 168.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 33.6 m -150.91 -178.11 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 125.716 1.606 . . . . 0.0 106.759 -171.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 15.5 t -117.74 152.12 19.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 103.601 -2.741 . . . . 0.0 103.601 168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.49 154.83 39.41 Favored 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 120.781 -1.199 . . . . 0.0 108.605 -176.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 77.8 tttt -82.8 138.53 33.96 Favored 'General case' 0 CA--C 1.517 -0.32 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.728 ' CE3' HH12 ' B' ' 20' ' ' MLY . 33.8 t-105 -85.11 96.93 9.6 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 169.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 9.3 m -58.62 -31.55 68.2 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 5.3 m -73.17 -7.9 53.44 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -170.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -147.21 -42.62 0.18 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.548 1.067 . . . . 0.0 111.831 170.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 140.19 177.9 16.39 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -175.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.0 m-30 74.84 162.28 0.25 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 128.201 2.601 . . . . 0.0 111.772 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -121.13 125.07 46.3 Favored 'General case' 0 N--CA 1.448 -0.566 0 C-N-CA 124.894 1.278 . . . . 0.0 107.904 -169.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.42 ' CD2' HG13 ' B' ' 21' ' ' VAL . 49.7 m-85 -128.18 152.93 47.46 Favored 'General case' 0 C--O 1.232 0.184 0 C-N-CA 124.787 1.235 . . . . 0.0 109.024 -170.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 5.3 m -67.2 146.24 54.41 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 124.34 1.056 . . . . 0.0 110.94 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -170.62 177.94 43.48 Favored Glycine 0 C--N 1.333 0.405 0 N-CA-C 111.638 -0.585 . . . . 0.0 111.638 175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.43 137.95 51.51 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 106.984 -1.487 . . . . 0.0 106.984 170.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.32 121.46 17.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 173.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.438 HG23 ' H ' ' A' 1518 ' ' LEU . 40.2 p -89.88 -31.09 17.47 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.707 0.403 . . . . 0.0 110.095 -176.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 9.5 ttt-85 -172.87 142.01 1.08 Allowed 'General case' 0 C--N 1.345 0.378 0 C-N-CA 123.273 0.629 . . . . 0.0 111.251 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.1 t70 -73.61 112.53 9.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 102.857 -3.016 . . . . 0.0 102.857 167.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.7 t -65.26 -53.38 41.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.8 164.48 11.54 Favored Glycine 0 C--N 1.337 0.591 0 N-CA-C 108.359 -1.896 . . . . 0.0 108.359 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.69 9.91 0.47 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.785 1.772 . . . . 0.0 115.785 176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.74 -9.4 32.25 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 125.322 1.439 . . . . 0.0 110.799 -179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.41 139.99 42.67 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 119.674 1.737 . . . . 0.0 108.284 171.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -127.65 134.05 49.64 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 168.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -82.99 147.05 28.42 Favored 'General case' 0 CA--C 1.514 -0.41 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 176.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.81 117.92 20.05 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.472 1.109 . . . . 0.0 108.918 -169.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.438 ' H ' HG23 ' A' 1507 ' ' THR . 39.6 tp -84.5 93.3 8.3 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 103.268 -2.864 . . . . 0.0 103.268 168.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -57.64 153.45 13.27 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.68 -26.49 68.68 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.535 -0.728 . . . . 0.0 111.414 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 55.0 p30 -72.82 -4.97 34.95 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 125.816 1.646 . . . . 0.0 114.065 173.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 91.28 -4.52 80.62 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-O 118.223 -1.32 . . . . 0.0 112.896 175.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.493 ' CB ' HH13 ' B' ' 20' ' ' MLY . 37.3 m-85 -65.24 152.14 44.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.63 1.715 . . . . 0.0 109.295 169.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -143.61 108.08 4.83 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 89.7 m -143.09 162.75 34.71 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 124.332 1.053 . . . . 0.0 108.822 175.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -69.91 148.36 49.08 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.221 1.008 . . . . 0.0 110.646 170.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.3 t -140.37 139.68 35.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 171.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.6 mt -75.11 150.53 38.77 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.497 -0.752 . . . . 0.0 109.93 176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.4 -37.91 49.47 Favored Glycine 0 C--N 1.338 0.694 0 C-N-CA 124.606 1.098 . . . . 0.0 113.752 -173.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.61 -37.34 68.0 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.683 -0.893 . . . . 0.0 110.121 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.2 19.92 8.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 113.085 -169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.2 OUTLIER -122.71 126.82 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 N-CA-C 105.653 -1.98 . . . . 0.0 105.653 177.085 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 79.2 mt -112.27 114.92 27.95 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.16 2.184 . . . . 0.0 105.611 -170.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.475 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -116.96 3.3 12.81 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -170.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 45.6 m -119.35 40.56 3.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 172.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.72 6.12 0.04 OUTLIER Pre-proline 0 N--CA 1.445 -0.696 1 N-CA-C 124.194 4.887 . . . . 0.0 124.194 -167.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -54.18 119.03 5.67 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 CA-C-N 126.114 3.219 . . . . 0.0 107.063 168.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 2.6 mm -60.4 123.34 73.07 Favored Pre-proline 0 CA--C 1.542 0.645 0 CA-C-O 118.658 -0.687 . . . . 0.0 109.224 -168.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -66.36 142.42 66.06 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 121.797 1.665 . . . . 0.0 110.644 173.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.483 ' H ' HD12 ' A' 1540 ' ' LEU . 5.1 mp -65.26 147.97 52.52 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.7 t70 78.81 -8.08 1.69 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.057 2.543 . . . . 0.0 113.395 -170.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 26.3 m -69.97 136.6 50.66 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 120.745 -1.222 . . . . 0.0 108.763 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -75.24 138.25 41.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 107.342 -1.355 . . . . 0.0 107.342 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.5 m -146.13 155.83 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 124.56 1.144 . . . . 0.0 109.793 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 15.6 m -90.1 150.55 22.01 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 168.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -134.14 141.85 47.26 Favored 'General case' 0 N--CA 1.445 -0.695 0 C-N-CA 126.317 1.847 . . . . 0.0 106.675 -174.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.59 125.54 48.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.277 0.944 . . . . 0.0 110.313 170.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 49.9 m -68.98 165.52 19.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.968 -1.014 . . . . 0.0 111.371 175.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -66.44 -16.78 64.37 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.294 1.438 . . . . 0.0 111.368 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 45.5 t0 -111.48 37.27 2.94 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.062 1.345 . . . . 0.0 109.598 169.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 52.06 15.38 0.42 Allowed 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 130.581 3.552 . . . . 0.0 118.232 171.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -61.72 108.07 0.93 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 121.057 -1.027 . . . . 0.0 109.237 170.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -75.27 130.99 40.03 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 171.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.5 m -150.83 176.86 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.935 1.294 . . . . 0.0 108.609 175.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -136.35 155.92 49.37 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.386 0.994 . . . . 0.0 111.623 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.87 -155.8 9.25 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 126.372 1.939 . . . . 0.0 108.394 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -133.44 140.62 46.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 CA-C-N 118.474 1.137 . . . . 0.0 109.407 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 63.9 t -62.9 126.52 21.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 173.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 84.0 mttt -135.61 31.82 3.07 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.64 0.776 . . . . 0.0 110.994 170.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 163.07 -177.63 39.04 Favored Glycine 0 C--N 1.334 0.43 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 169.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 12.8 m80 -143.38 152.87 42.1 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 126.593 1.957 . . . . 0.0 109.614 -171.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 40.1 ttt85 -147.61 159.47 43.73 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 171.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -127.71 128.74 45.94 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 105.728 -1.952 . . . . 0.0 105.728 169.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -148.2 134.7 19.7 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 26.4 m 50.11 30.69 4.38 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.333 1.053 . . . . 0.0 113.582 -179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.69 35.77 90.3 Favored Glycine 0 CA--C 1.532 1.14 0 CA-C-O 119.341 -0.699 . . . . 0.0 111.95 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -135.39 150.36 49.89 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 -179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.06 139.15 30.85 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -172.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -130.62 153.13 49.24 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.544 1.138 . . . . 0.0 108.83 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -134.3 132.33 39.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 105.828 -1.916 . . . . 0.0 105.828 178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -85.99 98.09 10.63 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.325 -1.732 . . . . 0.0 106.325 173.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.8 mm -83.17 114.95 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 -178.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.42 125.27 25.93 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 168.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 26.0 ttpt -144.51 137.56 26.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 52.55 30.35 8.39 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.827 0.851 . . . . 0.0 112.411 -176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.28 15.44 81.0 Favored Glycine 0 CA--C 1.532 1.147 0 CA-C-O 118.952 -0.915 . . . . 0.0 113.441 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -140.79 150.71 43.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.706 1.253 . . . . 0.0 109.303 176.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 65.9 mtm180 -82.3 139.52 34.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.443 -0.786 . . . . 0.0 109.811 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -132.17 132.05 42.8 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 105.81 -1.922 . . . . 0.0 105.81 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 85.5 m95 -79.78 129.22 34.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 118.779 0.718 . . . . 0.0 109.49 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -132.2 155.23 48.61 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 124.591 1.156 . . . . 0.0 108.413 172.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -99.94 159.96 14.68 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 117.86 -1.067 . . . . 0.0 110.311 -175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -45.6 -49.07 14.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.805 1.184 . . . . 0.0 112.487 -173.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 22.0 ptm -69.04 -23.59 64.08 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.74 -23.91 27.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.758 1.223 . . . . 0.0 110.532 176.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 57.4 t -91.39 92.05 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.1 pt -109.28 147.49 13.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 -172.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -100.26 117.32 34.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 -176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 5.6 m -58.18 153.84 14.24 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 169.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.43 -32.34 68.59 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -169.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -70.31 -33.64 71.77 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.966 0.803 . . . . 0.0 109.481 178.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -73.42 -51.83 15.89 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.798 1.239 . . . . 0.0 107.771 177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -53.01 -38.26 55.31 Favored Glycine 0 C--N 1.34 0.757 0 C-N-CA 125.564 1.554 . . . . 0.0 112.081 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -54.94 -47.16 74.83 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.83 0.815 . . . . 0.0 111.101 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 32.0 mtt85 -60.42 -27.09 67.2 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -85.65 -32.21 22.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 118.331 0.514 . . . . 0.0 110.313 173.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 41.0 ttp180 -57.77 -36.7 72.49 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 124.405 1.082 . . . . 0.0 111.972 -172.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.31 -20.08 65.17 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -113.34 -45.29 3.15 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 119.813 1.188 . . . . 0.0 111.145 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 10.4 m-30 -98.33 -15.52 19.71 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 124.785 1.234 . . . . 0.0 112.919 -169.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.44 127.63 45.43 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 109.204 -1.558 . . . . 0.0 109.204 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.475 HD22 HD23 ' A' 1534 ' ' LEU . 1.7 mt -62.2 -46.4 89.07 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.493 1.147 . . . . 0.0 109.769 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.402 0 C-N-CA 125.698 1.618 . . . . 0.0 110.772 -169.146 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.812 -0.515 . . . . 0.0 111.812 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -150.2 165.68 32.16 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 125.501 1.52 . . . . 0.0 108.804 176.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -170.26 168.15 8.25 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.831 2.053 . . . . 0.0 107.199 173.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.443 ' CD ' HD11 ' B' ' 22' ' ' LEU . 53.1 ttp85 -42.34 97.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.6 1.56 . . . . 0.0 113.998 -172.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.426 ' CD2' ' H ' ' B' ' 19' ' ' ARG . 0.3 OUTLIER -54.28 -37.2 64.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 130.537 3.535 . . . . 0.0 117.888 173.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.426 ' H ' ' CD2' ' B' ' 18' ' ' HIS . 26.2 mtt-85 -149.15 159.91 43.83 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.985 2.514 . . . . 0.0 106.305 -167.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.728 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.531 0.247 0 CA-C-N 119.001 0.819 . . . . 0.0 109.799 175.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' 1502 ' ' TYR . 1.5 t -154.67 5.95 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.03 0.932 . . . . 0.0 112.354 177.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.443 HD11 ' CD ' ' B' ' 17' ' ' ARG . 0.0 OUTLIER -158.38 166.71 31.61 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 -172.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -136.54 174.92 10.09 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 169.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -114.87 21.75 14.07 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.127 1.371 . . . . 0.0 111.986 -173.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -89.68 35.21 0.83 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.017 1.327 . . . . 0.0 111.723 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -89.49 5.16 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.883 0 CA-C-N 114.343 -1.299 . . . . 0.0 113.161 -168.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 . . . . . 0 C--O 1.254 1.29 0 C-N-CA 125.206 1.402 . . . . 0.0 108.371 -169.281 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.808 -0.517 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -150.76 158.21 43.87 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 125.223 1.409 . . . . 0.0 108.694 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 85.4 mtp -145.12 148.73 33.94 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.826 1.25 . . . . 0.0 108.344 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -67.35 147.75 52.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 175.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 21.8 m -61.59 109.95 1.34 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.131 0.572 . . . . 0.0 110.473 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 86.3 m-85 66.61 -63.62 0.25 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.288 2.235 . . . . 0.0 113.309 173.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 5.8 t -61.95 112.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.897 0 C-N-CA 125.23 1.412 . . . . 0.0 109.188 -170.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.32 -17.13 26.62 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.351 1.453 . . . . 0.0 113.07 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.7 mp -71.75 136.5 47.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 118.96 1.38 . . . . 0.0 110.08 -176.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -77.62 126.02 30.24 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 18.2 m -144.27 179.68 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 -173.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.4 t -116.84 148.79 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.436 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.93 152.76 39.94 Favored 'General case' 0 CA--C 1.512 -0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 108.907 -173.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.0 tttt -82.11 140.68 33.69 Favored 'General case' 0 CA--C 1.509 -0.602 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.523 ' CE3' HH12 ' B' ' 20' ' ' MLY . 33.8 t-105 -85.66 85.88 7.39 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 169.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 12.8 m -55.51 -27.92 51.57 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 6.2 m -66.64 -14.52 62.55 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -145.38 -51.99 0.26 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.618 1.099 . . . . 0.0 111.944 170.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 153.44 176.05 25.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -170.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 6.3 m-30 70.75 162.14 0.24 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 128.266 2.627 . . . . 0.0 111.856 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -118.07 124.13 47.34 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 -174.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -120.53 151.68 39.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 16.3 m -66.93 148.19 52.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.764 0.826 . . . . 0.0 110.98 178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -168.85 -177.49 39.74 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 174.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.45 139.55 53.74 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.9 mt -70.78 117.52 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.403 HG23 ' H ' ' A' 1518 ' ' LEU . 41.1 p -84.44 -38.61 19.96 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.1 137.71 2.53 Favored 'General case' 0 C--N 1.346 0.452 0 C-N-CA 124.697 1.199 . . . . 0.0 109.502 -175.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.97 106.37 3.17 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 169.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 2.9 t -61.9 -53.97 40.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 -175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 143.4 166.49 11.23 Favored Glycine 0 C--N 1.336 0.541 0 N-CA-C 108.579 -1.808 . . . . 0.0 108.579 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.56 9.64 0.59 Allowed 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.896 1.814 . . . . 0.0 115.896 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 111.02 -9.94 29.37 Favored Glycine 0 C--N 1.338 0.65 0 C-N-CA 125.203 1.382 . . . . 0.0 111.089 -179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.25 138.84 38.83 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 119.703 1.752 . . . . 0.0 108.6 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -129.15 132.21 47.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 104.534 -2.395 . . . . 0.0 104.534 169.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -83.56 143.32 30.23 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.14 117.39 20.72 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 124.363 1.065 . . . . 0.0 108.292 -169.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.403 ' H ' HG23 ' A' 1507 ' ' THR . 26.9 tp -83.79 93.04 7.88 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 103.218 -2.882 . . . . 0.0 103.218 168.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -57.82 150.43 20.12 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 170.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.41 -19.07 65.34 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.457 -0.777 . . . . 0.0 111.205 -176.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -79.3 2.87 19.84 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.535 1.134 . . . . 0.0 113.718 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 90.98 -1.01 77.07 Favored Glycine 0 CA--C 1.524 0.627 0 CA-C-O 118.16 -1.355 . . . . 0.0 112.703 170.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -68.49 146.54 53.05 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 119.85 1.825 . . . . 0.0 108.37 169.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -139.3 106.56 5.5 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 106.343 -1.725 . . . . 0.0 106.343 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 30.9 m -145.62 156.9 43.96 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.45 145.58 53.95 Favored 'General case' 0 C--O 1.237 0.408 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 170.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 55.6 t -141.22 143.84 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 169.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.5 tp -84.51 153.71 23.14 Favored 'General case' 0 CA--C 1.528 0.112 0 O-C-N 121.474 -0.766 . . . . 0.0 110.595 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -51.88 -39.56 48.17 Favored Glycine 0 C--N 1.335 0.501 0 C-N-CA 124.723 1.154 . . . . 0.0 114.308 -169.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -57.31 -44.06 83.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.205 1.002 . . . . 0.0 108.619 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -85.01 20.68 1.8 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 125.064 1.346 . . . . 0.0 113.085 -170.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.436 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -124.54 128.5 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 N-CA-C 105.736 -1.95 . . . . 0.0 105.736 174.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 57.1 mt -112.89 107.33 15.87 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 104.499 -2.408 . . . . 0.0 104.499 -169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.572 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -105.6 -6.09 19.57 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 116.307 1.966 . . . . 0.0 116.307 -168.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 25.2 p -132.22 51.62 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 -179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 33.4 t0 -119.59 50.82 1.61 Allowed Pre-proline 0 CA--C 1.538 0.506 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 -168.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -65.98 124.52 12.77 Favored 'Trans proline' 0 CA--C 1.541 0.838 1 N-CA-C 101.222 -4.184 . . . . 0.0 101.222 166.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.9 mm -58.39 119.65 37.61 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 119.398 0.999 . . . . 0.0 109.761 -167.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -67.74 141.61 55.11 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 121.559 1.506 . . . . 0.0 109.517 177.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' 1540 ' ' LEU . 5.8 mp -63.97 148.03 50.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 114.504 -1.226 . . . . 0.0 108.559 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 6.7 t70 78.44 -6.3 1.95 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.421 2.288 . . . . 0.0 113.51 -173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.0 m -70.29 138.49 51.6 Favored 'General case' 0 C--O 1.239 0.535 0 O-C-N 121.05 -1.031 . . . . 0.0 109.203 171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -76.01 142.37 41.89 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 172.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 3.1 m -148.41 158.25 7.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 C-N-CA 124.767 1.227 . . . . 0.0 108.935 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 20.1 m -90.75 145.59 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 169.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -127.55 139.71 52.59 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.211 1.405 . . . . 0.0 107.533 -179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -122.02 113.78 20.03 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 124.453 1.101 . . . . 0.0 108.187 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 19.8 m -66.02 153.3 42.55 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 169.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -71.16 -16.23 62.52 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.939 -0.476 . . . . 0.0 110.716 179.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -88.37 22.75 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.866 1.266 . . . . 0.0 110.478 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . 0.319 3.8 pt-20 51.0 46.36 26.51 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 130.025 3.33 . . . . 0.0 116.737 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -98.24 138.0 36.15 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 168.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.572 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -110.85 130.97 55.43 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 -176.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 32.8 m -149.91 174.68 12.41 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 124.164 0.986 . . . . 0.0 108.63 172.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -129.07 152.45 48.66 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -166.54 -161.59 16.02 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 107.433 -2.267 . . . . 0.0 107.433 -172.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -132.89 138.64 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 118.736 1.268 . . . . 0.0 109.813 -171.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.4 t -62.39 130.68 27.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 172.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -131.21 9.72 4.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 118.869 0.758 . . . . 0.0 111.849 170.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.63 -175.03 47.13 Favored Glycine 0 C--N 1.335 0.478 0 CA-C-N 118.746 0.703 . . . . 0.0 111.611 174.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.1 m80 -142.22 152.49 43.15 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 126.695 1.998 . . . . 0.0 110.046 -169.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -146.31 158.86 43.92 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -126.81 126.21 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 170.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -150.13 139.62 21.5 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 -174.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 22.2 m 51.18 28.4 4.06 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.033 0.933 . . . . 0.0 113.322 -175.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 65.8 31.21 79.07 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-O 119.346 -0.697 . . . . 0.0 112.218 -176.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -138.22 154.54 49.1 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.68 1.592 . . . . 0.0 107.264 -174.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 24.5 tp -93.35 137.26 32.84 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.935 0.894 . . . . 0.0 111.905 -169.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.47 156.48 44.7 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 125.615 1.566 . . . . 0.0 109.23 -178.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -133.95 135.91 43.84 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 106.897 -1.52 . . . . 0.0 106.897 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.73 105.41 16.25 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 169.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 21.6 mm -88.96 112.45 24.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 105.363 -2.088 . . . . 0.0 105.363 177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -71.7 131.02 42.55 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 169.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -144.26 145.39 32.01 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 169.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 52.36 31.07 8.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.242 1.017 . . . . 0.0 112.908 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 78.85 16.64 78.7 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 118.962 -0.91 . . . . 0.0 112.937 173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -142.06 148.24 38.11 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 118.58 1.19 . . . . 0.0 109.83 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -81.28 139.29 35.51 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -178.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -131.88 130.29 41.45 Favored 'General case' 0 C--O 1.225 -0.193 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 175.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 87.7 m95 -80.11 132.93 36.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 119.391 0.996 . . . . 0.0 110.18 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -134.23 157.4 46.37 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.852 1.261 . . . . 0.0 109.19 171.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -96.51 157.19 16.02 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 118.142 -0.932 . . . . 0.0 109.811 -176.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 50.6 ptt85 -48.85 -46.62 42.49 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 120.134 1.334 . . . . 0.0 112.948 -173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 4.5 ppp? -74.33 -17.01 60.89 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 118.937 0.79 . . . . 0.0 112.139 -175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.15 -20.55 30.08 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.869 0.868 . . . . 0.0 111.296 172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 99.5 t -96.19 89.54 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -96.86 146.82 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 -177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.82 115.82 28.1 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 106.071 -1.826 . . . . 0.0 106.071 -175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.96 146.63 17.28 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.4 pp -58.18 -36.36 72.93 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 -168.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -64.11 -35.72 81.67 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.21 0.914 . . . . 0.0 109.805 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -79.01 -43.99 23.19 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.398 0.679 . . . . 0.0 109.237 -175.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -55.2 -38.04 66.24 Favored Glycine 0 C--N 1.341 0.838 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.35 -50.05 75.45 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.983 -0.716 . . . . 0.0 110.836 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -60.56 -14.33 19.31 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.0 mt -102.04 -29.48 11.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.92 0.888 . . . . 0.0 108.772 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -54.71 -40.6 69.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.909 1.684 . . . . 0.0 112.104 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.56 -20.92 59.13 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -113.18 -43.17 3.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 119.372 0.987 . . . . 0.0 111.527 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 12.2 m-30 -101.46 -9.44 21.07 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 125.239 1.416 . . . . 0.0 114.21 -169.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -54.48 134.68 45.85 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 109.301 -1.519 . . . . 0.0 109.301 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.572 HD22 HD23 ' A' 1534 ' ' LEU . 3.7 mt -62.75 -40.06 96.07 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 118.318 1.059 . . . . 0.0 110.377 176.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.203 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -170.776 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 112.348 -0.301 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.42 156.77 31.28 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.556 0.742 . . . . 0.0 110.911 176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -161.88 163.78 29.02 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.846 1.258 . . . . 0.0 108.7 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -36.89 106.6 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 126.392 1.877 . . . . 0.0 109.01 178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.572 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -89.64 -22.74 22.15 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 116.924 2.194 . . . . 0.0 116.924 -166.682 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.472 HH11 ' CD2' ' B' ' 18' ' ' HIS . 79.5 mtt85 -131.84 172.49 12.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.789 2.035 . . . . 0.0 106.729 -178.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.523 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.533 0.306 0 CA-C-O 121.807 0.813 . . . . 0.0 109.505 173.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.437 ' H ' HD13 ' B' ' 22' ' ' LEU . 0.2 OUTLIER -170.18 12.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.912 0 C-N-CA 128.744 2.817 . . . . 0.0 109.75 -173.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.462 ' N ' HD13 ' B' ' 22' ' ' LEU . 0.0 OUTLIER -160.52 154.83 23.36 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 120.904 -1.122 . . . . 0.0 110.502 -168.031 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -131.67 55.84 1.84 Allowed 'General case' 0 C--O 1.235 0.341 0 N-CA-C 106.725 -1.583 . . . . 0.0 106.725 169.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -129.48 31.55 4.78 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.334 1.054 . . . . 0.0 110.032 -169.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -82.71 29.5 0.45 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.008 1.323 . . . . 0.0 112.768 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -94.58 10.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.393 -168.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 . . . . . 0 C--O 1.25 1.128 0 C-N-CA 125.926 1.69 . . . . 0.0 108.51 -168.565 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -75.1 -18.16 60.31 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.89 -0.77 . . . . 0.0 112.832 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 26.1 mmt -129.51 161.61 30.06 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.484 1.113 . . . . 0.0 110.098 -174.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -146.74 162.52 38.36 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 126.496 1.918 . . . . 0.0 107.561 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.8 m -43.17 110.12 0.18 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 125.155 1.382 . . . . 0.0 110.492 175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.1 m-85 66.92 -61.0 0.34 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.767 2.027 . . . . 0.0 112.324 -175.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.1 t -61.29 110.42 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 125.119 1.367 . . . . 0.0 110.111 -171.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 118.12 -26.18 7.97 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.822 1.677 . . . . 0.0 112.721 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.79 136.33 52.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 118.029 0.915 . . . . 0.0 110.698 -171.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -75.9 128.52 35.26 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 105.487 -2.042 . . . . 0.0 105.487 168.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 25.6 m -146.34 -177.28 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 2.3 t -118.15 149.05 20.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 169.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.509 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -145.62 155.18 42.86 Favored 'General case' 0 CA--C 1.515 -0.384 0 O-C-N 120.792 -1.192 . . . . 0.0 108.585 -179.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 78.2 tttt -83.2 137.4 34.05 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.417 -1.698 . . . . 0.0 106.417 177.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.809 ' CE3' HH12 ' B' ' 20' ' ' MLY . 47.1 t-105 -74.23 111.78 9.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 169.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 14.8 m -56.51 -18.46 11.62 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.861 2.065 . . . . 0.0 115.73 -169.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 15.7 m -75.77 47.49 0.42 Allowed 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.974 1.261 . . . . 0.0 111.082 171.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.1 t30 37.7 53.33 1.46 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 128.741 2.816 . . . . 0.0 113.73 -173.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -108.12 -162.95 21.06 Favored Glycine 0 C--N 1.339 0.7 0 C-N-CA 123.711 0.672 . . . . 0.0 112.056 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 16.1 m-30 -79.89 -170.64 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 124.819 1.248 . . . . 0.0 110.567 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.5 125.77 53.67 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -127.56 149.85 49.97 Favored 'General case' 0 CA--C 1.52 -0.188 0 C-N-CA 124.084 0.954 . . . . 0.0 108.517 -171.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.8 m -65.57 147.16 53.88 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 124.222 1.009 . . . . 0.0 110.365 177.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.53 177.54 44.31 Favored Glycine 0 C--N 1.331 0.288 0 CA-C-N 118.403 0.547 . . . . 0.0 112.026 175.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.14 139.96 49.78 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 107.13 -1.433 . . . . 0.0 107.13 172.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 12.9 mt -71.25 118.63 16.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 106.759 -1.571 . . . . 0.0 106.759 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.434 HG23 ' H ' ' A' 1518 ' ' LEU . 35.3 p -85.41 -38.67 18.42 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.577 0.351 . . . . 0.0 110.444 -175.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.53 137.16 1.76 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 124.485 1.114 . . . . 0.0 109.657 -174.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.8 t70 -69.24 105.43 2.51 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 168.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.11 -54.08 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -176.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 146.91 164.88 11.35 Favored Glycine 0 C--N 1.333 0.395 0 N-CA-C 108.616 -1.793 . . . . 0.0 108.616 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.64 10.62 0.54 Allowed 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.93 -11.82 29.51 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 125.461 1.505 . . . . 0.0 110.716 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.81 139.6 43.39 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 119.856 1.828 . . . . 0.0 108.465 171.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -128.85 136.08 49.98 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 169.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -85.35 147.7 26.39 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . 0.468 HD21 HD13 ' A' 1532 ' ' ILE . 4.0 mm? -131.62 118.98 20.8 Favored 'General case' 0 CA--C 1.511 -0.522 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -170.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.434 ' H ' HG23 ' A' 1507 ' ' THR . 25.2 tp -83.74 92.42 7.72 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 102.305 -3.22 . . . . 0.0 102.305 168.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -55.25 146.26 19.49 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 172.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -65.49 -24.74 67.22 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 121.302 0.572 . . . . 0.0 109.74 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 1.4 p30 -66.64 -6.75 16.58 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.818 2.047 . . . . 0.0 113.027 171.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 102.03 -14.3 57.21 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 125.497 1.523 . . . . 0.0 112.917 169.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.609 ' HB2' HH13 ' B' ' 20' ' ' MLY . 23.9 m-85 -74.67 158.72 33.13 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.282 1.041 . . . . 0.0 111.027 -178.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -140.93 108.56 5.61 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 124.549 1.139 . . . . 0.0 108.504 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 87.5 m -142.63 161.86 36.97 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 124.408 1.083 . . . . 0.0 109.409 173.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -68.74 146.91 52.53 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.945 0.898 . . . . 0.0 110.051 170.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 90.0 t -139.54 138.73 39.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.9 mt -72.68 146.47 46.49 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.046 174.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.67 -31.77 53.53 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 125.023 1.297 . . . . 0.0 114.455 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -31.84 65.16 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.615 1.208 . . . . 0.0 110.228 175.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 18.34 18.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.762 1.625 . . . . 0.0 112.265 -171.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.509 HG23 ' HB2' ' A' 1493 ' ' ALA . 2.0 mt -125.25 129.71 73.08 Favored 'Isoleucine or valine' 0 C--N 1.343 0.295 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 177.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 8.2 mp -116.78 118.1 31.59 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.427 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -115.31 0.89 13.62 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 117.433 2.383 . . . . 0.0 117.433 -168.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 8.2 t -131.2 52.1 2.09 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 175.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -120.64 51.53 2.26 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 117.055 2.243 . . . . 0.0 117.055 -167.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -66.64 129.0 20.11 Favored 'Trans proline' 0 CA--C 1.546 1.1 0 N-CA-C 101.838 -3.947 . . . . 0.0 101.838 166.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.01 120.73 53.15 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 119.523 1.056 . . . . 0.0 110.433 -168.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 25.3 Cg_endo -68.59 142.81 54.66 Favored 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 121.549 1.499 . . . . 0.0 110.183 174.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' 1540 ' ' LEU . 5.0 mp -65.63 146.56 54.67 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.228 -176.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 20.4 t70 81.35 -8.53 1.37 Allowed 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 127.932 2.493 . . . . 0.0 113.218 -171.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 29.9 m -69.17 136.91 52.81 Favored 'General case' 0 C--O 1.239 0.523 0 O-C-N 120.918 -1.113 . . . . 0.0 108.999 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -75.8 142.17 42.35 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.6 m -148.15 157.79 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 C-N-CA 124.184 0.993 . . . . 0.0 108.843 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 26.9 m -90.9 150.29 21.58 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 168.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -132.51 140.4 48.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 126.045 1.738 . . . . 0.0 106.78 -176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.489 HD22 HG21 ' B' ' 21' ' ' VAL . 6.3 mp -122.73 130.34 52.82 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.838 0.744 . . . . 0.0 110.293 172.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 44.5 m -70.71 167.44 18.7 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 124.502 1.121 . . . . 0.0 111.111 176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -63.02 -29.47 70.85 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.993 -0.442 . . . . 0.0 110.774 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 36.8 t0 -89.73 23.85 2.55 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.434 1.111 . . . . 0.0 110.778 171.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 65.9 -3.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 127.931 2.493 . . . . 0.0 115.985 169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -56.75 130.28 44.87 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 120.37 1.441 . . . . 0.0 109.184 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.558 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.1 OUTLIER -98.61 136.24 38.99 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 125.725 1.61 . . . . 0.0 106.741 -172.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 4.6 m -150.08 176.88 10.4 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 123.947 0.899 . . . . 0.0 109.222 172.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -133.63 155.28 49.97 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 118.888 0.767 . . . . 0.0 110.841 170.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.28 -160.03 16.44 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 107.911 -2.076 . . . . 0.0 107.911 -174.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.0 t -132.02 140.97 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 118.577 1.189 . . . . 0.0 109.492 -173.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.4 t -64.48 129.64 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -133.53 11.83 4.1 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 118.771 0.714 . . . . 0.0 111.835 171.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.16 -178.36 48.24 Favored Glycine 0 C--N 1.335 0.528 0 CA-C-N 119.378 0.99 . . . . 0.0 111.325 171.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 14.8 m80 -141.69 153.97 45.01 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.321 1.848 . . . . 0.0 110.064 -171.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -148.8 160.15 43.48 Favored 'General case' 0 C--O 1.231 0.099 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 170.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -127.44 129.85 48.23 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -150.05 133.17 16.26 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 33.5 m 48.52 34.7 5.11 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.801 1.24 . . . . 0.0 114.235 175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 69.04 34.73 76.94 Favored Glycine 0 CA--C 1.529 0.968 0 CA-C-O 119.587 -0.563 . . . . 0.0 112.258 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.13 150.08 50.12 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 105.848 -1.908 . . . . 0.0 105.848 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1568 ' ' LEU . 2.5 mt -92.32 137.4 32.4 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 125.095 1.358 . . . . 0.0 107.684 178.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.35 150.32 48.62 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -130.85 130.87 44.14 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.14 101.88 12.82 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 105.433 -2.062 . . . . 0.0 105.433 171.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.5 mm -84.01 111.99 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 105.504 -2.035 . . . . 0.0 105.504 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -67.59 125.28 25.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 168.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -144.36 138.84 28.1 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 53.45 29.24 8.61 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.348 0.659 . . . . 0.0 112.458 -175.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.05 19.18 80.03 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-O 119.141 -0.811 . . . . 0.0 113.38 176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -142.38 151.38 41.81 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 118.488 1.144 . . . . 0.0 109.565 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -81.04 138.99 35.99 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.344 -0.847 . . . . 0.0 109.198 -174.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -135.64 129.09 32.27 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 91.0 m95 -79.92 134.16 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 119.659 1.118 . . . . 0.0 110.287 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -136.06 160.38 38.8 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.256 1.423 . . . . 0.0 108.928 170.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -103.16 159.14 15.8 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.527 -173.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -44.1 -51.62 7.83 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 120.652 1.569 . . . . 0.0 112.193 -173.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.8 ppp? -74.84 -16.63 60.68 Favored 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -172.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -85.23 -25.14 27.5 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.018 0.927 . . . . 0.0 110.893 172.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.0 t -91.3 89.5 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 105.262 -2.125 . . . . 0.0 105.262 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 12.8 pt -99.26 145.4 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 N-CA-C 105.79 -1.929 . . . . 0.0 105.79 -175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.7 mt -97.26 114.01 25.7 Favored 'General case' 0 CA--C 1.508 -0.653 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 -173.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.34 143.27 19.24 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 172.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -57.76 -33.38 68.43 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 -168.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 40.9 tp10 -64.79 -36.46 84.39 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 119.463 1.029 . . . . 0.0 110.21 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -76.72 -46.24 26.22 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.983 0.913 . . . . 0.0 108.821 -177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -52.34 -39.99 52.61 Favored Glycine 0 C--N 1.342 0.883 0 C-N-CA 124.157 0.884 . . . . 0.0 111.014 172.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.43 -48.24 82.61 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 121.697 -0.884 . . . . 0.0 111.122 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -62.9 -10.72 14.49 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 10.8 mt -106.05 -28.59 10.43 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.431 1.092 . . . . 0.0 108.901 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.9 ttp85 -57.31 -39.3 75.53 Favored 'General case' 0 C--O 1.224 -0.265 0 C-N-CA 125.421 1.488 . . . . 0.0 110.486 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -59.72 -20.7 58.11 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -112.63 -41.86 3.75 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.167 0.894 . . . . 0.0 111.684 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -98.98 -16.81 18.6 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 124.143 0.977 . . . . 0.0 113.634 -168.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -51.35 128.89 32.2 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.858 1.218 . . . . 0.0 110.118 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.427 HD22 HD23 ' A' 1534 ' ' LEU . 0.9 OUTLIER -65.1 -49.35 70.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 118.356 1.078 . . . . 0.0 108.926 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.174 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 -168.651 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.86 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -137.99 21.28 2.83 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.215 1.006 . . . . 0.0 112.164 -175.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -68.44 158.53 33.48 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 120.306 -1.496 . . . . 0.0 110.683 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 49.5 ttp85 -26.95 126.56 0.06 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 127.384 2.273 . . . . 0.0 111.666 172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.558 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -113.89 -26.53 8.12 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 116.356 1.984 . . . . 0.0 116.356 -167.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.553 HH11 ' CD2' ' B' ' 18' ' ' HIS . 77.9 mtt85 -135.96 48.9 2.16 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.646 1.179 . . . . 0.0 109.939 -171.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.809 HH12 ' CE3' ' A' 1495 ' ' TRP 0.303 . . . . . . . 0 N--CA 1.471 0.614 0 C-N-CA 130.673 3.589 . . . . 0.0 116.43 175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.614 ' HB ' HD13 ' B' ' 22' ' ' LEU . 2.2 t 33.53 -119.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.026 0 C-N-CA 126.653 1.981 . . . . 0.0 109.328 -169.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.656 HD13 ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -52.21 165.11 0.24 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 128.371 2.668 . . . . 0.0 115.356 -179.742 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 52.2 ttt180 -100.01 142.16 31.86 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 106.708 -1.59 . . . . 0.0 106.708 168.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -129.85 -9.43 4.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.996 0.918 . . . . 0.0 112.48 -175.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -90.18 76.39 6.88 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.89 4.1 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.577 -169.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 124.987 1.315 . . . . 0.0 108.761 -169.261 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -69.26 168.45 14.17 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 117.469 0.634 . . . . 0.0 110.724 175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 22.2 ttt -56.78 148.72 19.81 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.203 1.001 . . . . 0.0 109.326 170.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -141.0 153.83 45.74 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 123.835 0.854 . . . . 0.0 109.257 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 50.3 m -57.25 113.53 1.78 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.556 1.142 . . . . 0.0 110.153 -175.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 89.8 m-85 63.83 -62.4 0.16 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 127.461 2.304 . . . . 0.0 113.129 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 4.3 t -59.21 112.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 125.959 1.704 . . . . 0.0 109.403 -174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.95 -16.36 25.56 Favored Glycine 0 CA--C 1.531 1.048 0 C-N-CA 125.718 1.627 . . . . 0.0 113.118 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.45 137.56 41.04 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.881 1.34 . . . . 0.0 110.124 -175.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 -78.63 128.54 33.63 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 20.7 m -146.49 177.49 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 125.19 1.396 . . . . 0.0 107.262 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 13.3 t -114.69 142.86 25.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 104.989 -2.226 . . . . 0.0 104.989 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . . . . . . . . . . . -142.01 149.7 40.35 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.545 1.138 . . . . 0.0 108.472 -169.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 79.9 tttt -84.38 138.38 32.89 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.534 ' CE3' HH12 ' B' ' 20' ' ' MLY . 27.1 t-105 -73.6 110.47 7.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 106.398 -1.704 . . . . 0.0 106.398 169.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 15.4 m -57.37 -15.89 7.66 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 126.696 1.998 . . . . 0.0 116.153 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 16.6 m -75.45 49.25 0.47 Allowed 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 110.796 172.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 66.9 t30 37.21 53.95 1.27 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.781 2.832 . . . . 0.0 113.857 -172.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -115.2 -157.75 11.6 Favored Glycine 0 C--N 1.339 0.707 0 C-N-CA 123.621 0.629 . . . . 0.0 112.824 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' 1589 ' ' SER . 8.7 m-30 -84.76 -172.65 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.96 1.304 . . . . 0.0 111.823 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . 0.421 ' CE1' ' HA ' ' A' 1590 ' ' LEU . 8.6 m-85 -115.64 124.84 51.94 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 126.656 1.983 . . . . 0.0 107.34 -170.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . 0.407 ' CD2' HG13 ' B' ' 21' ' ' VAL . 77.5 m-85 -132.98 153.0 51.88 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 125.259 1.424 . . . . 0.0 109.341 -169.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 1.7 m -67.99 144.13 55.29 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.599 0.759 . . . . 0.0 111.235 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.82 177.96 40.15 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 111.63 -0.588 . . . . 0.0 111.63 170.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 138.33 49.11 Favored 'General case' 0 CA--C 1.51 -0.567 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 171.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.9 mt -70.81 117.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.41 HG23 ' H ' ' A' 1518 ' ' LEU . 38.0 p -84.73 -38.36 19.77 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 122.621 0.368 . . . . 0.0 110.316 -175.167 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.72 137.28 2.14 Favored 'General case' 0 C--N 1.346 0.417 0 C-N-CA 124.532 1.133 . . . . 0.0 109.817 -174.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -68.47 106.48 2.56 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 168.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.4 t -60.58 -54.36 36.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 -176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 148.5 163.89 11.11 Favored Glycine 0 C--N 1.335 0.525 0 N-CA-C 108.679 -1.768 . . . . 0.0 108.679 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 55.45 10.68 0.5 Allowed 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 176.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 109.87 -9.97 32.05 Favored Glycine 0 C--N 1.338 0.643 0 C-N-CA 125.34 1.448 . . . . 0.0 111.071 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 3.9 mppt? -75.05 138.2 42.0 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 119.788 1.794 . . . . 0.0 107.963 169.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -126.74 133.68 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 169.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -81.87 143.87 31.4 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 176.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.4 mm? -129.91 116.56 18.82 Favored 'General case' 0 N--CA 1.439 -1.01 0 C-N-CA 124.912 1.285 . . . . 0.0 107.714 -169.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' 1507 ' ' THR . 20.2 tp -83.96 96.04 8.72 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 168.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -57.57 143.52 40.74 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.594 -1.261 . . . . 0.0 107.594 171.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.91 -24.31 66.81 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.597 -0.69 . . . . 0.0 109.581 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . 0.458 ' HB2' ' H ' ' B' ' 22' ' ' LEU . 0.0 OUTLIER -60.42 -12.18 8.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.198 1.799 . . . . 0.0 112.386 169.324 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 96.74 -3.12 62.67 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.67 1.128 . . . . 0.0 112.755 169.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -80.28 161.28 25.19 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 119.001 1.401 . . . . 0.0 109.301 170.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -137.44 119.1 14.99 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 1.3 m -151.2 147.25 26.79 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -69.29 141.0 54.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 168.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 85.8 t -139.25 136.57 41.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 N-CA-C 105.344 -2.095 . . . . 0.0 105.344 175.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.11 153.53 38.25 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.327 -0.858 . . . . 0.0 110.106 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -54.21 -40.83 68.67 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 124.292 0.949 . . . . 0.0 113.49 -175.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -18.69 64.2 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.517 -0.99 . . . . 0.0 112.186 179.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -99.69 15.04 28.05 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.265 1.426 . . . . 0.0 111.768 -175.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.46 139.4 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 -179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 61.2 mt -123.99 111.29 15.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 128.146 2.579 . . . . 0.0 104.88 -169.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.599 HD23 HD22 ' A' 1602 ' ' LEU . 0.4 OUTLIER -110.36 1.43 18.44 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 116.809 2.151 . . . . 0.0 116.809 -168.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 34.0 t -131.13 49.52 2.32 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 38.4 t0 -117.33 50.36 0.97 Allowed Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -167.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -67.65 126.16 14.34 Favored 'Trans proline' 0 CA--C 1.544 1.019 1 N-CA-C 101.401 -4.115 . . . . 0.0 101.401 166.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.07 121.58 56.49 Favored Pre-proline 0 CA--C 1.542 0.65 0 CA-C-N 119.571 1.078 . . . . 0.0 109.704 -168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -64.8 143.52 80.39 Favored 'Trans proline' 0 N--CA 1.451 -0.988 0 C-N-CA 121.848 1.699 . . . . 0.0 110.547 174.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' 1540 ' ' LEU . 5.5 mp -65.23 148.35 51.85 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.265 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 22.1 t70 76.65 -6.51 2.0 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.312 2.245 . . . . 0.0 113.646 -171.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 27.1 m -69.75 136.76 51.31 Favored 'General case' 0 C--O 1.235 0.328 0 O-C-N 120.864 -1.147 . . . . 0.0 108.488 172.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -75.66 139.48 42.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.4 m -147.21 156.65 10.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 124.455 1.102 . . . . 0.0 109.145 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 27.3 m -91.08 150.92 21.21 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 169.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -133.16 133.95 43.5 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.389 1.475 . . . . 0.0 107.107 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.594 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.4 mm? -121.54 116.55 24.88 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 20.7 m -63.43 164.38 9.33 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.135 0.574 . . . . 0.0 110.571 170.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -67.25 -30.58 70.52 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 177.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 44.1 t0 -83.01 27.97 0.53 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.963 0.887 . . . . 0.0 110.862 169.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . 0.475 ' HB2' ' HB2' ' B' ' 17' ' ' ARG . 13.7 pt-20 50.73 21.76 0.99 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 129.887 3.275 . . . . 0.0 115.924 169.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -68.63 130.44 42.86 Favored 'General case' 0 C--N 1.331 -0.202 0 O-C-N 120.694 -1.254 . . . . 0.0 108.231 169.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -103.31 131.18 50.57 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.721 2.008 . . . . 0.0 107.057 -176.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 15.4 m -149.9 174.0 13.16 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.658 1.183 . . . . 0.0 109.136 171.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -131.02 155.51 46.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 118.784 0.72 . . . . 0.0 110.133 171.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.79 -159.22 16.26 Favored Glycine 0 CA--C 1.52 0.383 0 N-CA-C 108.074 -2.011 . . . . 0.0 108.074 -171.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.8 t -134.56 140.81 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 118.342 1.071 . . . . 0.0 109.905 -173.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.8 t -63.75 132.26 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 172.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -133.32 9.98 4.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.916 0.78 . . . . 0.0 112.37 170.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.78 -174.62 46.75 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 119.062 0.846 . . . . 0.0 111.321 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 16.6 m80 -141.78 153.76 44.77 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 126.479 1.911 . . . . 0.0 109.719 -170.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 38.4 ttt85 -147.91 159.23 44.08 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -127.84 127.15 42.96 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 169.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -145.16 136.97 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.2 m 50.21 31.97 5.63 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.21 1.004 . . . . 0.0 113.088 -177.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 66.47 32.88 83.06 Favored Glycine 0 CA--C 1.534 1.257 0 CA-C-O 119.349 -0.695 . . . . 0.0 112.265 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -136.92 152.34 50.09 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.988 1.315 . . . . 0.0 107.839 -175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 22.6 tp -94.08 132.51 38.52 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.765 1.226 . . . . 0.0 111.644 -170.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -127.93 155.47 44.17 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 125.714 1.605 . . . . 0.0 109.44 -178.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -133.67 135.39 44.07 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.37 104.64 15.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 169.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.01 110.24 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -70.75 130.11 40.86 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 169.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -144.54 137.81 27.08 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 52.97 33.08 13.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.802 0.841 . . . . 0.0 111.976 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 74.23 18.92 79.87 Favored Glycine 0 CA--C 1.531 1.07 0 CA-C-O 119.042 -0.865 . . . . 0.0 113.667 175.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.7 pp0? -140.23 150.09 43.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.75 1.275 . . . . 0.0 109.61 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -84.13 141.22 31.24 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -134.37 128.95 34.66 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 176.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.6 m95 -79.84 133.31 36.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 119.194 0.906 . . . . 0.0 110.066 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -135.73 160.63 37.94 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 124.663 1.185 . . . . 0.0 109.351 171.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 48.1 pttt -100.28 158.11 16.12 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.265 1.026 . . . . 0.0 110.322 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -49.7 -46.13 49.7 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.204 1.366 . . . . 0.0 113.227 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 9.6 ptm -71.91 -16.54 62.12 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.073 0.851 . . . . 0.0 112.502 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -88.19 -24.02 23.42 Favored 'General case' 0 C--N 1.333 -0.144 0 C-N-CA 124.105 0.962 . . . . 0.0 110.589 172.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 70.4 t -92.22 87.82 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 9.2 pt -97.64 143.06 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 -173.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 8.1 mt -97.63 137.11 37.03 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 179.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' 1500 ' ' TYR . 6.6 p -63.26 169.65 3.45 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 170.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.421 ' HA ' ' CE1' ' A' 1501 ' ' PHE . 1.6 pp -63.25 -32.27 73.64 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 121.742 -0.599 . . . . 0.0 112.389 174.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -76.74 -39.97 50.03 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 119.638 1.108 . . . . 0.0 108.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -65.04 -47.53 77.04 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -57.72 -37.35 83.28 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.482 1.515 . . . . 0.0 112.007 174.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.44 -45.39 93.28 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.447 -1.031 . . . . 0.0 110.379 -178.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 33.3 mtp85 -61.6 -11.02 9.57 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 12.6 mt -107.72 -27.82 10.07 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 125.069 1.348 . . . . 0.0 108.25 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -55.0 -40.86 70.57 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.519 1.527 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -58.36 -21.5 50.13 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -113.16 -40.66 3.87 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.243 0.929 . . . . 0.0 111.815 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.3 m-30 -103.68 -9.22 19.32 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 114.504 1.298 . . . . 0.0 114.504 -168.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -57.41 132.06 52.37 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.599 HD22 HD23 ' A' 1534 ' ' LEU . 1.6 mt -65.54 -44.03 88.11 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 118.419 1.11 . . . . 0.0 109.911 177.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 -172.099 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.915 0 CA-C-O 120.973 0.207 . . . . 0.0 112.957 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 51.32 26.86 3.27 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.779 2.032 . . . . 0.0 114.978 176.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -104.05 159.22 15.86 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 120.795 -1.191 . . . . 0.0 109.787 -171.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.475 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 20.2 ttp85 -26.75 97.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 128.98 2.912 . . . . 0.0 112.17 179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.4 OUTLIER -81.76 -27.79 33.61 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 125.288 1.435 . . . . 0.0 113.147 -169.312 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.515 HH11 ' CD2' ' B' ' 18' ' ' HIS . 80.0 mtt85 -138.95 144.16 38.88 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 129.072 2.949 . . . . 0.0 103.204 177.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.534 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--O 1.223 -0.318 0 CA-C-O 123.561 1.648 . . . . 0.0 111.08 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.602 ' HB ' HD13 ' B' ' 22' ' ' LEU . 0.7 OUTLIER -151.11 170.51 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 C-N-CA 129.755 3.222 . . . . 0.0 102.324 169.02 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.602 HD13 ' HB ' ' B' ' 21' ' ' VAL 0.329 0.0 OUTLIER 47.82 162.6 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 130.075 3.35 . . . . 0.0 116.848 174.375 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -158.53 153.01 24.35 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 120.341 -1.474 . . . . 0.0 107.853 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -66.03 -29.05 69.34 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 122.066 0.936 . . . . 0.0 109.997 175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 19.9 t30 74.27 -15.09 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 C-N-CA 129.877 3.271 . . . . 0.0 119.498 168.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.431 HD13 ' H ' ' B' ' 26' ' ' ILE . 0.2 OUTLIER -82.59 9.1 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.165 0.507 . . . . 0.0 111.373 179.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 127.413 2.285 . . . . 0.0 107.944 -168.197 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 111.445 -0.662 . . . . 0.0 111.445 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -65.77 -33.41 75.8 Favored 'General case' 0 N--CA 1.471 0.601 0 O-C-N 121.945 -0.738 . . . . 0.0 111.907 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 10.3 tpt -147.13 160.46 42.4 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.665 1.586 . . . . 0.0 107.444 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 54.5 t30 -143.07 148.5 36.78 Favored 'General case' 0 CA--C 1.519 -0.233 0 C-N-CA 123.639 0.776 . . . . 0.0 109.18 169.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 45.9 m -65.32 105.06 1.05 Allowed 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.052 0.941 . . . . 0.0 110.096 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 63.59 -62.95 0.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 127.792 2.437 . . . . 0.0 114.003 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 15.7 t -64.9 121.8 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 118.776 0.716 . . . . 0.0 109.121 -170.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 106.26 -22.82 30.25 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 125.774 1.654 . . . . 0.0 112.747 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.74 132.93 44.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 119.055 1.427 . . . . 0.0 111.096 -174.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -76.25 131.32 39.2 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 168.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 34.3 m -149.38 178.01 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 105.702 -1.962 . . . . 0.0 105.702 -172.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 10.3 t -109.86 153.83 11.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 104.556 -2.387 . . . . 0.0 104.556 168.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.501 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -147.08 155.71 42.42 Favored 'General case' 0 N--CA 1.444 -0.751 0 O-C-N 120.926 -1.109 . . . . 0.0 108.293 178.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 69.7 tttt -83.49 141.68 31.48 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.732 ' CE3' HH12 ' B' ' 20' ' ' MLY . 35.2 t-105 -93.92 103.81 15.89 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 169.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 7.1 m -55.33 -37.52 67.55 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.846 0.858 . . . . 0.0 112.817 -170.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 9.9 m -75.19 -15.48 60.56 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -170.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -142.75 12.04 1.86 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 119.789 1.177 . . . . 0.0 114.034 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . 88.93 -39.67 3.11 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 118.697 2.239 . . . . 0.0 118.697 167.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 5.9 m-30 -76.27 169.5 18.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 119.702 1.751 . . . . 0.0 112.01 -169.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -117.8 127.15 53.61 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.974 -1.491 . . . . 0.0 106.974 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -131.16 150.31 52.2 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 124.29 1.036 . . . . 0.0 109.441 -169.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.1 m -68.34 145.28 54.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.33 0.652 . . . . 0.0 110.427 177.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -164.78 172.3 40.45 Favored Glycine 0 C--N 1.332 0.356 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 173.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.59 135.95 47.22 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 171.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 10.7 mt -68.11 120.92 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 173.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . . . . . . . . . 43.3 p -87.91 -32.12 19.1 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -176.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 10.0 ttt-85 -172.16 143.85 1.56 Allowed 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.068 0.547 . . . . 0.0 111.016 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.1 111.73 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 102.6 -3.111 . . . . 0.0 102.6 166.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 4.2 t -64.1 -53.68 40.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.94 164.57 11.4 Favored Glycine 0 C--N 1.337 0.611 0 N-CA-C 108.468 -1.853 . . . . 0.0 108.468 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.42 9.33 0.52 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 115.771 1.767 . . . . 0.0 115.771 176.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 110.27 -10.28 31.16 Favored Glycine 0 C--N 1.335 0.523 0 C-N-CA 125.315 1.436 . . . . 0.0 110.956 -179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -74.74 140.28 43.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 120.099 1.949 . . . . 0.0 108.74 170.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -128.49 134.14 48.64 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 105.197 -2.149 . . . . 0.0 105.197 169.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -83.37 144.16 29.84 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.8 mm? -129.27 117.65 21.04 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.582 1.153 . . . . 0.0 108.421 -169.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . . . . . . . . . 24.4 tp -83.56 92.42 7.63 Favored 'General case' 0 CA--C 1.511 -0.533 0 N-CA-C 103.111 -2.922 . . . . 0.0 103.111 168.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -57.53 150.22 19.46 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 172.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.18 -14.62 61.05 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.648 0.261 . . . . 0.0 110.509 175.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.41 -25.2 65.76 Favored 'General case' 0 N--CA 1.447 -0.618 0 C-N-CA 125.827 1.651 . . . . 0.0 111.262 172.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.38 64.72 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 125.655 1.598 . . . . 0.0 111.707 -169.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.436 ' HB2' HH13 ' B' ' 20' ' ' MLY . 26.6 m-85 -66.64 154.41 40.61 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.743 1.271 . . . . 0.0 111.146 172.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -144.62 108.61 4.74 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 125.446 1.498 . . . . 0.0 108.161 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 78.7 m -142.66 161.68 37.44 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.345 1.058 . . . . 0.0 109.282 176.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -68.7 147.9 51.17 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 123.681 0.793 . . . . 0.0 110.291 169.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 69.1 t -140.71 140.42 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 N-CA-C 105.474 -2.047 . . . . 0.0 105.474 170.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.83 150.91 39.1 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 121.426 -0.796 . . . . 0.0 109.967 176.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -52.06 -38.42 47.56 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 124.715 1.15 . . . . 0.0 113.475 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -36.8 69.99 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.822 -0.811 . . . . 0.0 110.512 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -92.56 15.61 13.86 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.427 1.491 . . . . 0.0 112.955 -169.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.501 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.78 127.72 75.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 105.603 -1.999 . . . . 0.0 105.603 178.173 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 5.9 mp -113.84 110.69 20.53 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 126.867 2.067 . . . . 0.0 106.206 -169.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.5 HD23 HD22 ' A' 1602 ' ' LEU . 0.2 OUTLIER -111.09 1.43 17.34 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -169.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 23.9 m -124.63 42.45 3.26 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 177.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.8 t0 -116.68 54.17 1.25 Allowed Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 119.284 3.068 . . . . 0.0 119.284 -167.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.69 126.79 13.06 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 N-CA-C 101.787 -3.967 . . . . 0.0 101.787 165.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.3 mm -59.11 120.71 49.68 Favored Pre-proline 0 CA--C 1.541 0.617 0 CA-C-N 119.538 1.063 . . . . 0.0 108.962 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -68.19 142.73 56.52 Favored 'Trans proline' 0 N--CA 1.448 -1.151 0 C-N-CA 121.411 1.408 . . . . 0.0 109.877 175.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.46 ' H ' HD12 ' A' 1540 ' ' LEU . 5.3 mp -64.93 146.82 54.44 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 114.403 -1.272 . . . . 0.0 108.394 -176.333 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 5.2 t70 79.96 -5.65 1.83 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 127.617 2.367 . . . . 0.0 113.302 -173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 39.4 m -69.5 138.5 53.42 Favored 'General case' 0 C--O 1.239 0.54 0 O-C-N 121.115 -0.991 . . . . 0.0 108.656 170.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -76.66 140.41 40.92 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 171.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 1.1 m -147.8 156.66 9.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 124.255 1.022 . . . . 0.0 108.339 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 18.2 m -89.95 150.46 22.15 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 105.419 -2.067 . . . . 0.0 105.419 169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -130.93 135.37 47.6 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 125.781 1.632 . . . . 0.0 107.082 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -120.51 115.94 24.44 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 43.2 m -63.29 166.06 6.75 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.809 0.844 . . . . 0.0 111.462 172.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -63.98 -33.4 75.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 122.055 -0.403 . . . . 0.0 110.053 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 39.5 t0 -85.74 24.91 1.16 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 122.384 1.088 . . . . 0.0 111.252 170.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 63.77 5.65 2.35 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.41 2.284 . . . . 0.0 115.563 169.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -60.86 133.01 55.67 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 121.601 2.001 . . . . 0.0 109.438 176.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.617 ' CE1' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -109.9 127.8 54.95 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 127.219 2.208 . . . . 0.0 106.473 -169.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 16.5 m -149.75 174.31 12.75 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.894 0.878 . . . . 0.0 108.683 173.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -127.65 154.95 44.66 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 118.533 0.606 . . . . 0.0 110.247 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -169.51 -161.92 20.79 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 107.9 -2.08 . . . . 0.0 107.9 -172.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 2.7 t -133.24 139.43 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 118.582 1.191 . . . . 0.0 109.971 -172.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 61.8 t -63.35 132.55 29.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 172.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -132.15 7.85 4.32 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.723 0.692 . . . . 0.0 112.129 170.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . -179.85 -175.42 46.56 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 119.109 0.868 . . . . 0.0 111.43 175.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 13.7 m80 -143.07 156.44 44.82 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.154 1.782 . . . . 0.0 111.195 -169.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -148.73 157.72 43.64 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.53 1.532 . . . . 0.0 107.766 170.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 7.2 mmtp -133.07 119.52 20.12 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.628 -1.99 . . . . 0.0 105.628 173.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -151.83 144.83 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 21.6 m 51.87 28.59 5.21 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.83 0.852 . . . . 0.0 113.191 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 64.09 32.74 85.21 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-O 118.937 -0.924 . . . . 0.0 112.425 -176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -136.68 152.24 50.17 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 39.6 tp -97.42 137.3 36.6 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.572 1.149 . . . . 0.0 108.913 -172.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -128.1 153.94 46.27 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 125.252 1.421 . . . . 0.0 108.875 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -134.93 133.04 39.16 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.1 p -83.85 103.47 13.15 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 169.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 27.6 mm -86.66 110.44 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -70.63 131.36 43.81 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 106.294 -1.743 . . . . 0.0 106.294 169.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -144.33 137.66 27.32 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 106.111 -1.811 . . . . 0.0 106.111 175.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 52.91 32.7 13.03 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.997 0.919 . . . . 0.0 112.014 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 75.61 17.95 79.94 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 118.92 -0.934 . . . . 0.0 113.59 174.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -138.3 149.6 45.83 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 118.709 1.255 . . . . 0.0 109.408 174.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -82.88 143.09 30.99 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -138.22 128.74 26.35 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 176.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 86.6 m95 -79.91 134.72 36.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.159 0.89 . . . . 0.0 110.053 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -135.76 158.08 45.27 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.605 1.162 . . . . 0.0 109.334 169.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 62.5 pttt -97.3 159.64 14.8 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.469 0.708 . . . . 0.0 109.882 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -52.58 -45.19 66.37 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 119.718 1.145 . . . . 0.0 113.17 -169.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -71.81 -20.35 61.86 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 118.811 0.732 . . . . 0.0 112.312 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -81.47 -25.43 36.06 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 110.951 172.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 87.1 t -91.67 89.2 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 N-CA-C 105.025 -2.213 . . . . 0.0 105.025 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 13.2 pt -98.42 147.47 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -175.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 5.8 mt -97.41 116.41 29.57 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 105.506 -2.035 . . . . 0.0 105.506 -174.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -55.92 147.69 18.88 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 172.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 1.4 pp -55.19 -35.12 64.49 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 117.381 2.363 . . . . 0.0 117.381 -167.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -74.58 -33.41 62.65 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 120.41 1.459 . . . . 0.0 109.736 177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -69.77 -46.26 66.18 Favored 'General case' 0 CA--C 1.528 0.098 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -54.02 -43.2 72.44 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.097 0.856 . . . . 0.0 111.112 172.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -59.26 -48.21 82.47 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.513 0.725 . . . . 0.0 111.559 -177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 38.9 mtt-85 -60.5 -14.89 22.19 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 8.1 mt -103.56 -31.18 10.06 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.179 1.392 . . . . 0.0 108.905 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -59.02 -36.99 75.9 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 125.594 1.558 . . . . 0.0 110.633 -178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -58.8 -19.67 43.2 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -111.05 -41.99 4.07 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 119.278 0.945 . . . . 0.0 111.107 178.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 15.0 m-30 -95.15 -17.5 21.73 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 113.556 0.947 . . . . 0.0 113.556 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -44.09 129.47 6.81 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.067 1.318 . . . . 0.0 110.644 170.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.5 HD22 HD23 ' A' 1534 ' ' LEU . 5.4 mt -62.78 -40.57 97.73 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 118.227 1.014 . . . . 0.0 109.896 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.161 0 N-CA-C 109.489 -1.444 . . . . 0.0 109.489 -172.359 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.911 0 CA-C-O 121.126 0.292 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 56.03 14.64 1.5 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 127.536 2.334 . . . . 0.0 116.324 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -74.62 155.83 37.4 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.01 -1.681 . . . . 0.0 110.241 176.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . 63.4 ttp85 -30.72 129.07 0.13 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.967 2.107 . . . . 0.0 112.543 176.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.617 ' CD2' ' CE1' ' A' 1553 ' ' PHE . 0.2 OUTLIER -107.51 -13.39 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.372 -1.285 . . . . 0.0 113.564 -169.721 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.561 HH11 ' CD2' ' B' ' 18' ' ' HIS . 73.1 mtt85 -143.51 167.62 21.79 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.542 1.937 . . . . 0.0 107.107 -175.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.732 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 CA--C 1.545 0.783 0 C-N-CA 126.104 1.761 . . . . 0.0 114.548 -171.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.475 ' HB ' HD13 ' B' ' 22' ' ' LEU . 2.3 t -60.01 -7.98 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 125.992 1.717 . . . . 0.0 115.614 -169.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.475 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -154.48 169.39 23.89 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 -177.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -147.74 173.48 12.74 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.298 0.499 . . . . 0.0 110.3 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -74.56 32.74 0.09 Allowed 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.208 1.803 . . . . 0.0 113.323 175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -87.53 34.42 0.7 Allowed 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.755 -1.216 . . . . 0.0 111.346 177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -90.05 2.19 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.253 -168.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.47 1.508 . . . . 0.0 107.946 -169.717 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.751 0 N-CA-C 111.646 -0.581 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.61 -28.02 67.39 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 117.543 0.671 . . . . 0.0 112.294 -176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' MET . . . . . . . . . . . . . 71.7 mtm -143.92 161.04 39.72 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.509 1.523 . . . . 0.0 108.432 -179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1484 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.68 147.8 52.79 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.379 0.672 . . . . 0.0 110.877 176.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1485 ' ' SER . . . . . . . . . . . . . 40.5 m -47.02 109.76 0.23 Allowed 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 125.912 1.685 . . . . 0.0 111.486 179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1486 ' ' PHE . . . . . . . . . . . . . 84.5 m-85 65.19 -62.73 0.2 Allowed 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 127.601 2.36 . . . . 0.0 112.977 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1487 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.62 110.45 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.765 0 C-N-CA 125.563 1.545 . . . . 0.0 109.494 -172.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1488 ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.91 26.0 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 125.306 1.431 . . . . 0.0 113.205 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1489 ' ' LEU . . . . . . . . . . . . . 9.8 mp -72.37 137.37 46.52 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 118.861 1.33 . . . . 0.0 109.935 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1490 ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -81.67 128.11 33.61 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 105.701 -1.963 . . . . 0.0 105.701 168.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1491 ' ' VAL . . . . . . . . . . . . . 28.6 m -145.5 179.78 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1492 ' ' VAL . . . . . . . . . . . . . 4.2 t -115.86 148.8 18.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 104.576 -2.379 . . . . 0.0 104.576 169.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1493 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 1532 ' ' ILE . . . -149.27 150.1 32.01 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 120.682 -1.261 . . . . 0.0 109.512 -169.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1494 ' ' LYS . . . . . . . . . . . . . 76.8 tttt -82.63 136.47 34.78 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1495 ' ' TRP . . . . . 0.691 ' CE3' HH12 ' B' ' 20' ' ' MLY . 43.6 t-105 -73.76 110.2 7.87 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 169.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1496 ' ' SER . . . . . . . . . . . . . 17.0 m -58.11 -15.39 9.35 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.35 1.86 . . . . 0.0 115.823 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1497 ' ' SER . . . . . . . . . . . . . 18.3 m -75.48 48.28 0.43 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.966 1.257 . . . . 0.0 110.983 170.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1498 ' ' ASN . . . . . . . . . . . . . 67.0 t30 37.82 52.95 1.49 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.726 2.81 . . . . 0.0 113.792 -173.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1499 ' ' GLY . . . . . . . . . . . . . . . -109.0 -163.12 20.28 Favored Glycine 0 C--N 1.337 0.635 0 CA-C-O 121.742 0.635 . . . . 0.0 112.573 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1500 ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -78.44 -177.71 5.4 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 125.109 1.364 . . . . 0.0 111.527 178.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1501 ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -101.45 128.5 47.63 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1502 ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -127.02 153.35 46.04 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.374 1.47 . . . . 0.0 108.499 -174.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1503 ' ' SER . . . . . . . . . . . . . 3.9 m -65.85 146.58 54.57 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.242 1.017 . . . . 0.0 110.787 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1504 ' ' GLY . . . . . . . . . . . . . . . -171.32 172.79 44.67 Favored Glycine 0 C--N 1.336 0.582 0 O-C-N 121.348 -0.845 . . . . 0.0 112.944 175.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1505 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.96 132.76 53.78 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 106.135 -1.802 . . . . 0.0 106.135 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1506 ' ' ILE . . . . . . . . . . . . . 14.4 mt -69.39 119.33 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1507 ' ' THR . . . . . 0.412 HG23 ' H ' ' A' 1518 ' ' LEU . 46.7 p -86.3 -38.1 17.86 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 122.652 0.381 . . . . 0.0 110.479 -176.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.13 137.94 1.61 Allowed 'General case' 0 C--N 1.345 0.404 0 C-N-CA 124.121 0.968 . . . . 0.0 109.868 -174.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -69.35 105.66 2.64 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 169.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' VAL . . . . . . . . . . . . . 3.8 t -60.58 -54.46 34.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' GLY . . . . . . . . . . . . . . . 147.23 163.78 10.76 Favored Glycine 0 C--N 1.337 0.592 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -177.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' ALA . . . . . . . . . . . . . . . 56.2 10.68 0.65 Allowed 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' GLY . . . . . . . . . . . . . . . 107.22 -8.27 38.17 Favored Glycine 0 C--O 1.225 -0.463 0 C-N-CA 125.272 1.415 . . . . 0.0 111.077 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.34 139.57 42.52 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 120.003 1.902 . . . . 0.0 108.097 170.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -127.64 132.78 49.7 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.098 -2.186 . . . . 0.0 105.098 169.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -80.58 143.94 32.8 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' LEU . . . . . . . . . . . . . 3.1 mm? -129.11 115.2 17.35 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 124.659 1.183 . . . . 0.0 108.507 -169.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' LEU . . . . . 0.412 ' H ' HG23 ' A' 1507 ' ' THR . 25.3 tp -83.01 93.99 7.68 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 101.802 -3.407 . . . . 0.0 101.802 168.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -57.56 148.58 23.6 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.93 -24.08 66.75 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.369 0.667 . . . . 0.0 110.091 177.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' ASP . . . . . . . . . . . . . 7.5 p30 -68.65 -4.86 17.12 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.514 1.926 . . . . 0.0 113.413 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' GLY . . . . . . . . . . . . . . . 100.88 -15.08 58.5 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.968 1.27 . . . . 0.0 113.137 171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' TYR . . . . . 0.422 ' CG ' ' HE3' ' B' ' 20' ' ' MLY . 31.7 m-85 -74.07 160.02 31.84 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.108 1.454 . . . . 0.0 111.556 -179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -142.45 109.08 5.37 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.316 1.047 . . . . 0.0 108.903 177.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' CYS . . . . . . . . . . . . . 83.5 m -144.18 161.76 38.06 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.201 1.0 . . . . 0.0 109.289 175.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -68.86 146.29 52.97 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.717 0.807 . . . . 0.0 110.425 170.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' VAL . . . . . . . . . . . . . 96.3 t -139.06 140.02 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' LEU . . . . . . . . . . . . . 2.1 mt -77.17 150.76 35.49 Favored 'General case' 0 N--CA 1.463 0.179 0 O-C-N 121.51 -0.744 . . . . 0.0 110.0 178.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' GLY . . . . . . . . . . . . . . . -53.58 -39.86 61.44 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 124.65 1.119 . . . . 0.0 113.631 -173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' LYS . . . . . 0.406 ' HD3' ' H ' ' A' 1530 ' ' LYS . 0.0 OUTLIER -58.21 -26.8 63.26 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.747 -0.854 . . . . 0.0 111.661 178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -100.04 14.41 30.74 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.225 1.41 . . . . 0.0 112.498 -171.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 1493 ' ' ALA . 0.1 OUTLIER -121.33 134.52 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 105.377 -2.082 . . . . 0.0 105.377 178.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' LEU . . . . . . . . . . . . . 49.6 mt -120.04 106.83 12.37 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 127.741 2.416 . . . . 0.0 106.005 -168.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' LEU . . . . . 0.55 HD23 HD22 ' A' 1602 ' ' LEU . 0.3 OUTLIER -109.02 0.56 20.03 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -169.091 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' CYS . . . . . . . . . . . . . 32.8 m -123.36 44.19 2.75 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' ASP . . . . . . . . . . . . . 42.4 t0 -116.98 49.56 0.81 Allowed Pre-proline 0 CA--C 1.538 0.508 0 N-CA-C 119.47 3.137 . . . . 0.0 119.47 -167.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -67.34 127.46 16.63 Favored 'Trans proline' 0 CA--C 1.544 0.979 1 N-CA-C 101.036 -4.255 . . . . 0.0 101.036 165.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' ILE . . . . . . . . . . . . . 4.4 mm -58.73 120.54 46.63 Favored Pre-proline 0 CA--C 1.541 0.635 0 CA-C-N 119.949 1.249 . . . . 0.0 109.783 -168.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -65.47 144.26 78.85 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 121.622 1.548 . . . . 0.0 110.303 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' LEU . . . . . 0.5 ' H ' HD12 ' A' 1540 ' ' LEU . 4.7 mp -66.9 145.84 55.03 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.29 -6.03 1.99 Allowed 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 128.019 2.528 . . . . 0.0 113.298 -171.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' THR . . . . . . . . . . . . . 24.3 m -69.26 135.28 50.27 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 120.832 -1.167 . . . . 0.0 108.517 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -77.55 141.27 39.67 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 170.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' VAL . . . . . . . . . . . . . 2.9 m -148.93 158.99 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 108.872 -177.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' THR . . . . . . . . . . . . . 21.9 m -90.55 149.47 22.15 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' ALA . . . . . . . . . . . . . . . -129.98 136.78 49.83 Favored 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 125.76 1.624 . . . . 0.0 106.831 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' LEU . . . . . 0.435 ' HG ' HG21 ' B' ' 21' ' ' VAL . 3.9 mm? -121.29 118.0 28.44 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 177.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' SER . . . . . . . . . . . . . 35.0 m -64.6 161.33 17.76 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.083 0.553 . . . . 0.0 110.556 169.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -62.34 -30.53 71.23 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.201 0.6 . . . . 0.0 110.227 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' ASP . . . . . . . . . . . . . 32.0 t0 -89.15 31.45 0.88 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.319 1.048 . . . . 0.0 111.286 175.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' B' ' 17' ' ' ARG 0.29 2.3 pt-20 45.77 39.61 5.44 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 129.112 2.965 . . . . 0.0 116.176 175.01 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -88.17 130.04 35.16 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 168.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' PHE . . . . . 0.619 ' CE2' ' CD2' ' B' ' 18' ' ' HIS . 0.0 OUTLIER -101.03 135.31 42.68 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 -178.557 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' SER . . . . . . . . . . . . . 18.2 m -150.61 174.38 13.05 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.496 1.118 . . . . 0.0 108.816 169.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' ALA . . . . . . . . . . . . . . . -130.48 154.52 47.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 118.665 0.666 . . . . 0.0 109.842 169.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' GLY . . . . . . . . . . . . . . . -170.54 -162.97 23.78 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 -171.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' VAL . . . . . . . . . . . . . 3.4 t -131.19 137.97 54.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 118.696 1.248 . . . . 0.0 110.18 -172.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' VAL . . . . . . . . . . . . . 57.9 t -62.84 129.99 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 171.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' LYS . . . . . . . . . . . . . 85.2 mttt -133.33 13.59 4.18 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.429 1.013 . . . . 0.0 112.109 170.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' GLY . . . . . . . . . . . . . . . 178.59 -175.56 47.46 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' HIS . . . . . . . . . . . . . 11.2 m80 -143.1 154.33 43.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 126.382 1.873 . . . . 0.0 110.458 -169.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' ARG . . . . . . . . . . . . . 51.4 ttt180 -147.77 159.94 43.27 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.64 127.08 43.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 170.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -151.12 138.05 19.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 107.603 -1.258 . . . . 0.0 107.603 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' SER . . . . . . . . . . . . . 30.8 m 49.3 30.99 3.45 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 176.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' GLY . . . . . . . . . . . . . . . 68.77 33.32 75.37 Favored Glycine 0 CA--C 1.533 1.183 0 O-C-N 121.769 -0.582 . . . . 0.0 112.214 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -137.27 149.31 47.02 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' LEU . . . . . . . . . . . . . 42.3 tp -98.7 131.26 45.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.31 1.444 . . . . 0.0 107.441 -175.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -122.39 154.21 38.01 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.8 1.24 . . . . 0.0 108.935 -175.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -134.34 127.71 32.25 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' SER . . . . . . . . . . . . . 1.4 p -81.3 102.9 10.71 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 26.9 mm -86.06 109.0 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -69.72 131.97 45.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 169.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -144.36 137.63 27.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 106.271 -1.752 . . . . 0.0 106.271 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 51.44 33.77 10.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.957 0.903 . . . . 0.0 112.327 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' GLY . . . . . . . . . . . . . . . 76.36 17.66 79.79 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-O 118.497 -1.169 . . . . 0.0 113.44 174.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' GLN . . . . . . . . . . . . . 2.4 pp0? -138.8 149.34 44.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.195 1.497 . . . . 0.0 109.628 174.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -81.88 143.03 31.98 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -138.05 128.54 26.41 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 106.371 -1.715 . . . . 0.0 106.371 175.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -80.02 132.23 35.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 119.031 0.832 . . . . 0.0 109.381 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -132.88 160.16 37.79 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.572 1.149 . . . . 0.0 108.581 170.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' LYS . . . . . . . . . . . . . 50.2 pttt -105.28 161.46 14.27 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.482 -173.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' ARG . . . . . . . . . . . . . 17.3 ptt-85 -46.62 -50.89 16.88 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.138 1.335 . . . . 0.0 112.149 -170.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' MET . . . . . . . . . . . . . 3.4 ppp? -72.82 -18.22 61.48 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 120.367 -0.533 . . . . 0.0 112.146 -172.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' ALA . . . . . . . . . . . . . . . -86.1 -22.37 27.16 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.332 1.053 . . . . 0.0 111.179 175.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' VAL . . . . . . . . . . . . . 64.7 t -94.88 91.01 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 N-CA-C 105.476 -2.046 . . . . 0.0 105.476 -179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' ILE . . . . . . . . . . . . . 10.9 pt -100.86 144.38 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 4.4 mt -96.71 113.21 24.74 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 105.965 -1.865 . . . . 0.0 105.965 -173.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.65 145.33 19.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 175.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 2.6 pp -58.13 -32.83 68.52 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.44 1.644 . . . . 0.0 115.44 -168.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -68.05 -36.65 80.24 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.395 0.998 . . . . 0.0 110.092 176.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -70.7 -50.4 36.8 Favored 'General case' 0 C--O 1.225 -0.226 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' GLY . . . . . . . . . . . . . . . -62.92 -30.74 78.23 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 123.668 0.652 . . . . 0.0 112.625 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -55.15 -46.17 75.69 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.617 1.208 . . . . 0.0 110.766 173.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' ARG . . . . . . . . . . . . . 18.4 mtt-85 -63.51 -17.55 62.89 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 123.605 0.762 . . . . 0.0 112.263 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.29 -27.28 18.51 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 117.602 -1.189 . . . . 0.0 111.977 172.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' ARG . . . . . . . . . . . . . 64.9 mtm180 -54.22 -38.55 65.82 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 121.08 1.764 . . . . 0.0 111.123 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -64.83 -18.75 65.41 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -114.04 -45.14 3.08 Favored 'General case' 0 C--N 1.346 0.45 0 CA-C-N 120.124 1.329 . . . . 0.0 111.501 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' TYR . . . . . . . . . . . . . 11.4 m-30 -99.6 -11.97 20.5 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.403 1.081 . . . . 0.0 113.299 -169.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' GLY . . . . . . . . . . . . . . . -53.73 131.97 43.81 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.115 -1.194 . . . . 0.0 110.115 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' LEU . . . . . 0.55 HD22 HD23 ' A' 1534 ' ' LEU . 1.9 mt -65.35 -39.6 92.54 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 118.207 1.004 . . . . 0.0 110.454 176.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.185 0 CA-C-O 118.384 -1.231 . . . . 0.0 110.204 -171.35 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -144.39 162.72 35.75 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 125.212 1.405 . . . . 0.0 109.429 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -160.98 164.76 30.8 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.491 1.116 . . . . 0.0 108.145 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' 1551 ' ' GLU . 63.2 ttp85 -30.99 109.28 0.05 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.527 1.931 . . . . 0.0 110.209 175.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.619 ' CD2' ' CE2' ' A' 1553 ' ' PHE . 0.3 OUTLIER -93.01 -21.22 19.88 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.959 1.703 . . . . 0.0 115.063 -167.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.583 HH11 ' CD2' ' B' ' 18' ' ' HIS . 76.6 mtt85 -135.0 160.24 38.95 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 128.906 2.882 . . . . 0.0 104.266 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' MLY . . . . . 0.691 HH12 ' CE3' ' A' 1495 ' ' TRP . . . . . . . . 0 C--N 1.33 -0.254 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 172.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . 0.677 ' HB ' HD13 ' B' ' 22' ' ' LEU . 7.7 t -141.79 -109.17 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 N-CA-C 103.201 -2.889 . . . . 0.0 103.201 169.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.677 HD13 ' HB ' ' B' ' 21' ' ' VAL . 0.0 OUTLIER -41.77 158.71 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.437 2.695 . . . . 0.0 115.225 174.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -81.46 62.0 5.15 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -173.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -127.05 -14.69 5.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 124.706 1.202 . . . . 0.0 111.888 171.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 34.14 0.86 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 122.367 1.079 . . . . 0.0 111.197 177.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -85.09 5.17 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 CA-C-N 114.506 -1.225 . . . . 0.0 113.1 -168.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 . . . . . 0 C--O 1.255 1.351 0 C-N-CA 125.683 1.593 . . . . 0.0 107.728 -169.825 . . . . . . . . 0 0 . 1 stop_ save_